[(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H25FN8O2 — CID 169140816

IUPAC[(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CC[C@@H](c3cc(Nc4ncc(C5CC5)c5nc(C#N)cn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C23H25FN8O2/c1-23(6-7-23)29-22(33)34-17-5-4-14(19(17)24)16-8-18(31-30-16)28-21-26-10-15(12-2-3-12)20-27-13(9-25)11-32(20)21/h8,10-12,14,17,19H,2-7H2,1H3,(H,29,33)(H2,26,28,30,31)/t14-,17-,19+/m0/s1
InChIKeyCEJZMXJDNJEDQG-UCLAIMLFSA-N
MW464.51 g/mol
LogP3.81
Rot. Bonds6

About [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169140816) has the molecular formula C23H25FN8O2 and a molecular weight of 464.51 g/mol. Its IUPAC name is [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169140816
Molecular FormulaC23H25FN8O2
Molecular Weight464.51 g/mol
Exact Mass464.21
IUPAC Name[(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CC[C@@H](c3cc(Nc4ncc(C5CC5)c5nc(C#N)cn45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C23H25FN8O2/c1-23(6-7-23)29-22(33)34-17-5-4-14(19(17)24)16-8-18(31-30-16)28-21-26-10-15(12-2-3-12)20-27-13(9-25)11-32(20)21/h8,10-12,14,17,19H,2-7H2,1H3,(H,29,33)(H2,26,28,30,31)/t14-,17-,19+/m0/s1
InChIKeyCEJZMXJDNJEDQG-UCLAIMLFSA-N
XLogP3.81
TPSA133.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[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,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169140816) is [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CC[C@@H](c3cc(Nc4ncc(C5CC5)c5nc(C#N)cn45)n[nH]3)[C@H]2F)CC1.
What is the InChIKey of [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is CEJZMXJDNJEDQG-UCLAIMLFSA-N. The full InChI is InChI=1S/C23H25FN8O2/c1-23(6-7-23)29-22(33)34-17-5-4-14(19(17)24)16-8-18(31-30-16)28-21-26-10-15(12-2-3-12)20-27-13(9-25)11-32(20)21/h8,10-12,14,17,19H,2-7H2,1H3,(H,29,33)(H2,26,28,30,31)/t14-,17-,19+/m0/s1.
What are the key properties of [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 464.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-3-[3-[(2-cyano-8-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169140816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).