N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide

C23H23N7O — CID 46893844

IUPACN-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cccc(-c2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)c1)C1CC1
InChIInChI=1S/C23H23N7O/c31-22(16-6-7-16)25-13-14-2-1-3-17(10-14)18-12-21-24-8-9-30(21)23(26-18)27-20-11-19(28-29-20)15-4-5-15/h1-3,8-12,15-16H,4-7,13H2,(H,25,31)(H2,26,27,28,29)
InChIKeyOXFVZRQAFFEJGX-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.77
Rot. Bonds7

About N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide

N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 46893844) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID46893844
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cccc(-c2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)c1)C1CC1
InChIInChI=1S/C23H23N7O/c31-22(16-6-7-16)25-13-14-2-1-3-17(10-14)18-12-21-24-8-9-30(21)23(26-18)27-20-11-19(28-29-20)15-4-5-15/h1-3,8-12,15-16H,4-7,13H2,(H,25,31)(H2,26,27,28,29)
InChIKeyOXFVZRQAFFEJGX-UHFFFAOYSA-N
XLogP3.77
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]acetamide
CID 59298957
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 59298863
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(1H-indol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59299033
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
[3-[3-[(7-pyrimidin-5-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142780
[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone
CID 59299073
N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 90710188
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
[(1S,2R,4R)-4-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142138
[(1S,2R,3S)-3-[3-[[7-(3-chloro-4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169141116
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
CID 90243458
2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-1-carboxylic acid
CID 68592076

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide (CID 46893844) is N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1cccc(-c2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)c1)C1CC1.
What is the InChIKey of N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is OXFVZRQAFFEJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c31-22(16-6-7-16)25-13-14-2-1-3-17(10-14)18-12-21-24-8-9-30(21)23(26-18)27-20-11-19(28-29-20)15-4-5-15/h1-3,8-12,15-16H,4-7,13H2,(H,25,31)(H2,26,27,28,29).
What are the key properties of N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide?
N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 46893844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).