N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen

C70H85ClN26O8S4 — CID 162107857

IUPACN-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen
SMILESC#Cc1cnc(-c2ccc(S(=O)(=O)NC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@@H](NC(C)=O)C2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@H](NC(C)=O)C2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C18H21N7O.C18H16N6O3S2.C16H15ClN6O3S2.6H2/c2*1-3-12-9-19-18(25-7-6-14(10-25)20-11(2)26)22-17(12)21-16-8-15(23-24-16)13-4-5-13;1-3-11-9-19-18(14-6-7-16(28-14)29(26,27)24-10(2)25)21-17(11)20-15-8-13(22-23-15)12-4-5-12;1-8(24)23-28(25,26)14-5-4-12(27-14)16-18-7-10(17)15(20-16)19-13-6-11(21-22-13)9-2-3-9;;;;;;/h2*1,8-9,13-14H,4-7,10H2,2H3,(H,20,26)(H2,19,21,22,23,24);1,6-9,12H,4-5H2,2H3,(H,24,25)(H2,19,20,21,22,23);4-7,9H,2-3H2,1H3,(H,23,24)(H2,18,19,20,21,22);6*1H/t2*14-;;;;;;;;/m10......../s1
InChIKeyZFTALUBNXANWJH-UIAVTYMDSA-N
MW1582.34 g/mol
LogP9.89
Rot. Bonds22

About N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen

N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen (PubChem CID 162107857) has the molecular formula C70H85ClN26O8S4 and a molecular weight of 1582.34 g/mol. Its IUPAC name is N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen
PubChem CID162107857
Molecular FormulaC70H85ClN26O8S4
Molecular Weight1582.34 g/mol
Exact Mass1580.56
IUPAC NameN-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen
SMILESC#Cc1cnc(-c2ccc(S(=O)(=O)NC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@@H](NC(C)=O)C2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@H](NC(C)=O)C2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C18H21N7O.C18H16N6O3S2.C16H15ClN6O3S2.6H2/c2*1-3-12-9-19-18(25-7-6-14(10-25)20-11(2)26)22-17(12)21-16-8-15(23-24-16)13-4-5-13;1-3-11-9-19-18(14-6-7-16(28-14)29(26,27)24-10(2)25)21-17(11)20-15-8-13(22-23-15)12-4-5-12;1-8(24)23-28(25,26)14-5-4-12(27-14)16-18-7-10(17)15(20-16)19-13-6-11(21-22-13)9-2-3-9;;;;;;/h2*1,8-9,13-14H,4-7,10H2,2H3,(H,20,26)(H2,19,21,22,23,24);1,6-9,12H,4-5H2,2H3,(H,24,25)(H2,19,20,21,22,23);4-7,9H,2-3H2,1H3,(H,23,24)(H2,18,19,20,21,22);6*1H/t2*14-;;;;;;;;/m10......../s1
InChIKeyZFTALUBNXANWJH-UIAVTYMDSA-N
XLogP9.89
TPSA457.12 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.34
LogP ≤ 59.89
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen?
The IUPAC name of N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen (CID 162107857) is N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen.
What is the SMILES notation for N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen?
The canonical SMILES for N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen is C#Cc1cnc(-c2ccc(S(=O)(=O)NC(C)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@@H](NC(C)=O)C2)nc1Nc1cc(C2CC2)[nH]n1.C#Cc1cnc(N2CC[C@H](NC(C)=O)C2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen?
The InChIKey is ZFTALUBNXANWJH-UIAVTYMDSA-N. The full InChI is InChI=1S/2C18H21N7O.C18H16N6O3S2.C16H15ClN6O3S2.6H2/c2*1-3-12-9-19-18(25-7-6-14(10-25)20-11(2)26)22-17(12)21-16-8-15(23-24-16)13-4-5-13;1-3-11-9-19-18(14-6-7-16(28-14)29(26,27)24-10(2)25)21-17(11)20-15-8-13(22-23-15)12-4-5-12;1-8(24)23-28(25,26)14-5-4-12(27-14)16-18-7-10(17)15(20-16)19-13-6-11(21-22-13)9-2-3-9;;;;;;/h2*1,8-9,13-14H,4-7,10H2,2H3,(H,20,26)(H2,19,21,22,23,24);1,6-9,12H,4-5H2,2H3,(H,24,25)(H2,19,20,21,22,23);4-7,9H,2-3H2,1H3,(H,23,24)(H2,18,19,20,21,22);6*1H/t2*14-;;;;;;;;/m10......../s1.
What are the key properties of N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen?
N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen has a molecular weight of 1582.34 g/mol, XLogP of 9.89, 22 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;N-[(3R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]pyrrolidin-3-yl]acetamide;N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-ethynylpyrimidin-2-yl]thiophen-2-yl]sulfonylacetamide;molecular hydrogen is sourced from PubChem (CID 162107857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).