[(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

C25H30FN9O2 — CID 170113347

IUPAC[(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
SMILESCc1cnn(C)c1-c1c(C)nc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)[C@H]3F)[nH]n2)n2ccnc12
InChIInChI=1S/C25H30FN9O2/c1-13-12-28-34(4)21(13)19-14(2)29-23(35-10-9-27-22(19)35)30-18-11-16(32-33-18)15-5-6-17(20(15)26)37-24(36)31-25(3)7-8-25/h9-12,15,17,20H,5-8H2,1-4H3,(H,31,36)(H2,29,30,32,33)/t15-,17-,20-/m0/s1
InChIKeyAJCDRQRRBFZZER-KNBMTAEXSA-N
MW507.57 g/mol
LogP4.08
Rot. Bonds6

About [(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

[(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 (PubChem CID 170113347) has the molecular formula C25H30FN9O2 and a molecular weight of 507.57 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID170113347
Molecular FormulaC25H30FN9O2
Molecular Weight507.57 g/mol
Exact Mass507.25
IUPAC Name[(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
SMILESCc1cnn(C)c1-c1c(C)nc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)[C@H]3F)[nH]n2)n2ccnc12
InChIInChI=1S/C25H30FN9O2/c1-13-12-28-34(4)21(13)19-14(2)29-23(35-10-9-27-22(19)35)30-18-11-16(32-33-18)15-5-6-17(20(15)26)37-24(36)31-25(3)7-8-25/h9-12,15,17,20H,5-8H2,1-4H3,(H,31,36)(H2,29,30,32,33)/t15-,17-,20-/m0/s1
InChIKeyAJCDRQRRBFZZER-KNBMTAEXSA-N
XLogP4.08
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1cnn(C)c1-c1c(C)nc(Nc2cc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)[C@H]3F)[nH]n2)n2ccnc12.
What is the InChIKey of [(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?
The InChIKey is AJCDRQRRBFZZER-KNBMTAEXSA-N. The full InChI is InChI=1S/C25H30FN9O2/c1-13-12-28-34(4)21(13)19-14(2)29-23(35-10-9-27-22(19)35)30-18-11-16(32-33-18)15-5-6-17(20(15)26)37-24(36)31-25(3)7-8-25/h9-12,15,17,20H,5-8H2,1-4H3,(H,31,36)(H2,29,30,32,33)/t15-,17-,20-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 507.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 170113347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).