[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H31N9O2 — CID 169141887

IUPAC[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2CCC(c3cc(Nc4ncc(N5CCNCC5)c5nccn45)n[nH]3)C2)CC1
InChIInChI=1S/C23H31N9O2/c1-23(4-5-23)28-22(33)34-16-3-2-15(12-16)17-13-19(30-29-17)27-21-26-14-18(20-25-8-11-32(20)21)31-9-6-24-7-10-31/h8,11,13-16,24H,2-7,9-10,12H2,1H3,(H,28,33)(H2,26,27,29,30)
InChIKeyWGGXPPCKPBVVPH-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.52
Rot. Bonds6

About [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141887) has the molecular formula C23H31N9O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169141887
Molecular FormulaC23H31N9O2
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC Name[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2CCC(c3cc(Nc4ncc(N5CCNCC5)c5nccn45)n[nH]3)C2)CC1
InChIInChI=1S/C23H31N9O2/c1-23(4-5-23)28-22(33)34-16-3-2-15(12-16)17-13-19(30-29-17)27-21-26-14-18(20-25-8-11-32(20)21)31-9-6-24-7-10-31/h8,11,13-16,24H,2-7,9-10,12H2,1H3,(H,28,33)(H2,26,27,29,30)
InChIKeyWGGXPPCKPBVVPH-UHFFFAOYSA-N
XLogP2.52
TPSA124.50 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[(1R,3S)-3-[3-[(2-ethoxypyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293954
[(1R,3S)-3-[3-[[2-(1-aminoethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293760
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293718
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895214
[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247
[(1R,3S)-3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167294495
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[3-[3-[(5-formyl-6-hydroxyisoquinolin-1-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998153
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[(1S,2S,3S)-3-[3-[[8-(1,4-dimethylpyrazol-5-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 170113347
[3-[3-[[2-(2-cyclopropyl-1,3-oxazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169141887) is [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)OC2CCC(c3cc(Nc4ncc(N5CCNCC5)c5nccn45)n[nH]3)C2)CC1.
What is the InChIKey of [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is WGGXPPCKPBVVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N9O2/c1-23(4-5-23)28-22(33)34-16-3-2-15(12-16)17-13-19(30-29-17)27-21-26-14-18(20-25-8-11-32(20)21)31-9-6-24-7-10-31/h8,11,13-16,24H,2-7,9-10,12H2,1H3,(H,28,33)(H2,26,27,29,30).
What are the key properties of [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 465.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(8-piperazin-1-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).