2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen

C64H63Cl4N23O4S4 — CID 159089675

IUPAC2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
SMILESN#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=C(O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(NC1CC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H17ClN6O2S2.C17H14ClN5O2.C15H15ClN6S.C15H11ClN6S.3H2/c18-11-8-19-17(13-5-6-15(27-13)28(25,26)24-10-3-4-10)21-16(11)20-14-7-12(22-23-14)9-1-2-9;18-12-8-19-15(10-2-1-3-11(6-10)17(24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;2*16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;;;/h5-10,24H,1-4H2,(H2,19,20,21,22,23);1-3,6-9H,4-5H2,(H,24,25)(H2,19,20,21,22,23);3-5,7-8H,1-2,6,17H2,(H2,18,19,20,21,22);3-5,7-8H,1-2H2,(H2,18,19,20,21,22);3*1H
InChIKeyKBWYPSUXJRYTIA-UHFFFAOYSA-N
MW1488.44 g/mol
LogP15.96
Rot. Bonds21

About 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen

2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen (PubChem CID 159089675) has the molecular formula C64H63Cl4N23O4S4 and a molecular weight of 1488.44 g/mol. Its IUPAC name is 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen.

Molecular Properties

Compound Name2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
PubChem CID159089675
Molecular FormulaC64H63Cl4N23O4S4
Molecular Weight1488.44 g/mol
Exact Mass1485.31
IUPAC Name2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen
SMILESN#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=C(O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(NC1CC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H17ClN6O2S2.C17H14ClN5O2.C15H15ClN6S.C15H11ClN6S.3H2/c18-11-8-19-17(13-5-6-15(27-13)28(25,26)24-10-3-4-10)21-16(11)20-14-7-12(22-23-14)9-1-2-9;18-12-8-19-15(10-2-1-3-11(6-10)17(24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;2*16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;;;/h5-10,24H,1-4H2,(H2,19,20,21,22,23);1-3,6-9H,4-5H2,(H,24,25)(H2,19,20,21,22,23);3-5,7-8H,1-2,6,17H2,(H2,18,19,20,21,22);3-5,7-8H,1-2H2,(H2,18,19,20,21,22);3*1H
InChIKeyKBWYPSUXJRYTIA-UHFFFAOYSA-N
XLogP15.96
TPSA399.24 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms99
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001488.44
LogP ≤ 515.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
The IUPAC name of 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen (CID 159089675) is 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen.
What is the SMILES notation for 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
The canonical SMILES for 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen is N#Cc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NCc1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=C(O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(NC1CC1)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.[H][H].[H][H].[H][H].
What is the InChIKey of 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
The InChIKey is KBWYPSUXJRYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2S2.C17H14ClN5O2.C15H15ClN6S.C15H11ClN6S.3H2/c18-11-8-19-17(13-5-6-15(27-13)28(25,26)24-10-3-4-10)21-16(11)20-14-7-12(22-23-14)9-1-2-9;18-12-8-19-15(10-2-1-3-11(6-10)17(24)25)21-16(12)20-14-7-13(22-23-14)9-4-5-9;2*16-10-7-18-15(12-4-3-9(6-17)23-12)20-14(10)19-13-5-11(21-22-13)8-1-2-8;;;/h5-10,24H,1-4H2,(H2,19,20,21,22,23);1-3,6-9H,4-5H2,(H,24,25)(H2,19,20,21,22,23);3-5,7-8H,1-2,6,17H2,(H2,18,19,20,21,22);3-5,7-8H,1-2H2,(H2,18,19,20,21,22);3*1H.
What are the key properties of 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen?
2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen has a molecular weight of 1488.44 g/mol, XLogP of 15.96, 21 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)thiophen-2-yl]-5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzoic acid;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-cyclopropylthiophene-2-sulfonamide;5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-carbonitrile;molecular hydrogen is sourced from PubChem (CID 159089675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).