N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide

C25H28N8O2S — CID 59298888

IUPACN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nc(CN4CCOCC4)cn23)n[nH]1
InChIInChI=1S/C25H28N8O2S/c1-16-12-21(31-30-16)28-25-29-23(36-20-6-4-18(5-7-20)27-24(34)17-2-3-17)13-22-26-19(15-33(22)25)14-32-8-10-35-11-9-32/h4-7,12-13,15,17H,2-3,8-11,14H2,1H3,(H,27,34)(H2,28,29,30,31)
InChIKeyVSTPJXJOUKVZSK-UHFFFAOYSA-N
MW504.62 g/mol
LogP3.84
Rot. Bonds8

About N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide

N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 59298888) has the molecular formula C25H28N8O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID59298888
Molecular FormulaC25H28N8O2S
Molecular Weight504.62 g/mol
Exact Mass504.21
IUPAC NameN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nc(CN4CCOCC4)cn23)n[nH]1
InChIInChI=1S/C25H28N8O2S/c1-16-12-21(31-30-16)28-25-29-23(36-20-6-4-18(5-7-20)27-24(34)17-2-3-17)13-22-26-19(15-33(22)25)14-32-8-10-35-11-9-32/h4-7,12-13,15,17H,2-3,8-11,14H2,1H3,(H,27,34)(H2,28,29,30,31)
InChIKeyVSTPJXJOUKVZSK-UHFFFAOYSA-N
XLogP3.84
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 59298888) is N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nc(CN4CCOCC4)cn23)n[nH]1.
What is the InChIKey of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is VSTPJXJOUKVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S/c1-16-12-21(31-30-16)28-25-29-23(36-20-6-4-18(5-7-20)27-24(34)17-2-3-17)13-22-26-19(15-33(22)25)14-32-8-10-35-11-9-32/h4-7,12-13,15,17H,2-3,8-11,14H2,1H3,(H,27,34)(H2,28,29,30,31).
What are the key properties of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 504.62 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(morpholin-4-ylmethyl)imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 59298888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).