4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide

C24H26N8OS — CID 59299114

IUPAC4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H26N8OS/c33-23(27-17-2-1-9-25-14-17)16-5-7-18(8-6-16)34-22-13-21-26-10-11-32(21)24(29-22)28-20-12-19(30-31-20)15-3-4-15/h5-8,10-13,15,17,25H,1-4,9,14H2,(H,27,33)(H2,28,29,30,31)
InChIKeyNFBKOXWUVJJVNJ-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.71
Rot. Bonds7

About 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide

4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide (PubChem CID 59299114) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide
PubChem CID59299114
Molecular FormulaC24H26N8OS
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C24H26N8OS/c33-23(27-17-2-1-9-25-14-17)16-5-7-18(8-6-16)34-22-13-21-26-10-11-32(21)24(29-22)28-20-12-19(30-31-20)15-3-4-15/h5-8,10-13,15,17,25H,1-4,9,14H2,(H,27,33)(H2,28,29,30,31)
InChIKeyNFBKOXWUVJJVNJ-UHFFFAOYSA-N
XLogP3.71
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone
CID 59299073
4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46893316
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]acetamide
CID 59298957
N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 46893053
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide
CID 59299231
4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 24891244
1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide
CID 46892176
3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]cyclohepta-1,3,5-triene-1-carbaldehyde
CID 143218655
N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
CID 46893844
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(1H-indol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59299033
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide
CID 46892308
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]piperidin-4-yl]acetamide
CID 68842046

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide (CID 59299114) is 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide?
The InChIKey is NFBKOXWUVJJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c33-23(27-17-2-1-9-25-14-17)16-5-7-18(8-6-16)34-22-13-21-26-10-11-32(21)24(29-22)28-20-12-19(30-31-20)15-3-4-15/h5-8,10-13,15,17,25H,1-4,9,14H2,(H,27,33)(H2,28,29,30,31).
What are the key properties of 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide?
4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide has a molecular weight of 474.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 59299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).