N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide

C23H22N6OS — CID 150218413

IUPACN-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide
SMILESCCC(=O)Nc1csc(-c2nc(Nc3cc(C4CC4)[nH]n3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H22N6OS/c1-2-22(30)24-16-10-19(31-13-16)23-25-17(14-6-4-3-5-7-14)11-20(27-23)26-21-12-18(28-29-21)15-8-9-15/h3-7,10-13,15H,2,8-9H2,1H3,(H,24,30)(H2,25,26,27,28,29)
InChIKeyFSYTZGCXEYUBIE-UHFFFAOYSA-N
MW430.54 g/mol
LogP5.56
Rot. Bonds7

About N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide

N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide (PubChem CID 150218413) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide
PubChem CID150218413
Molecular FormulaC23H22N6OS
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC NameN-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide
SMILESCCC(=O)Nc1csc(-c2nc(Nc3cc(C4CC4)[nH]n3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H22N6OS/c1-2-22(30)24-16-10-19(31-13-16)23-25-17(14-6-4-3-5-7-14)11-20(27-23)26-21-12-18(28-29-21)15-8-9-15/h3-7,10-13,15H,2,8-9H2,1H3,(H,24,30)(H2,25,26,27,28,29)
InChIKeyFSYTZGCXEYUBIE-UHFFFAOYSA-N
XLogP5.56
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide?
The IUPAC name of N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide (CID 150218413) is N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide.
What is the SMILES notation for N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide?
The canonical SMILES for N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide is CCC(=O)Nc1csc(-c2nc(Nc3cc(C4CC4)[nH]n3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide?
The InChIKey is FSYTZGCXEYUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c1-2-22(30)24-16-10-19(31-13-16)23-25-17(14-6-4-3-5-7-14)11-20(27-23)26-21-12-18(28-29-21)15-8-9-15/h3-7,10-13,15H,2,8-9H2,1H3,(H,24,30)(H2,25,26,27,28,29).
What are the key properties of N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide?
N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide has a molecular weight of 430.54 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]thiophen-3-yl]propanamide is sourced from PubChem (CID 150218413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).