[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C23H32FN9O2 — CID 169143503

IUPAC[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nc(N4CCN(C)CC4)cc4nccn34)n[nH]2)[C@H]1F
InChIInChI=1S/C23H32FN9O2/c1-14(2)26-23(34)35-17-5-4-15(21(17)24)16-12-18(30-29-16)27-22-28-20(13-19-25-6-7-33(19)22)32-10-8-31(3)9-11-32/h6-7,12-15,17,21H,4-5,8-11H2,1-3H3,(H,26,34)(H2,27,28,29,30)/t15-,17-,21-/m1/s1
InChIKeyPVYYLRJKBPXTCT-QLVMHMETSA-N
MW485.57 g/mol
LogP2.67
Rot. Bonds6

About [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169143503) has the molecular formula C23H32FN9O2 and a molecular weight of 485.57 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID169143503
Molecular FormulaC23H32FN9O2
Molecular Weight485.57 g/mol
Exact Mass485.27
IUPAC Name[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nc(N4CCN(C)CC4)cc4nccn34)n[nH]2)[C@H]1F
InChIInChI=1S/C23H32FN9O2/c1-14(2)26-23(34)35-17-5-4-15(21(17)24)16-12-18(30-29-16)27-22-28-20(13-19-25-6-7-33(19)22)32-10-8-31(3)9-11-32/h6-7,12-15,17,21H,4-5,8-11H2,1-3H3,(H,26,34)(H2,27,28,29,30)/t15-,17-,21-/m1/s1
InChIKeyPVYYLRJKBPXTCT-QLVMHMETSA-N
XLogP2.67
TPSA115.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169143503) is [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3nc(N4CCN(C)CC4)cc4nccn34)n[nH]2)[C@H]1F.
What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is PVYYLRJKBPXTCT-QLVMHMETSA-N. The full InChI is InChI=1S/C23H32FN9O2/c1-14(2)26-23(34)35-17-5-4-15(21(17)24)16-12-18(30-29-16)27-22-28-20(13-19-25-6-7-33(19)22)32-10-8-31(3)9-11-32/h6-7,12-15,17,21H,4-5,8-11H2,1-3H3,(H,26,34)(H2,27,28,29,30)/t15-,17-,21-/m1/s1.
What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 485.57 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-fluoro-3-[3-[[7-(4-methylpiperazin-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169143503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).