[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H26FN9O2 — CID 169142559

IUPAC[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCn1cc(-c2cc3nccn3c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)n2)cn1
InChIInChI=1S/C23H26FN9O2/c1-23(5-6-23)29-22(34)35-17-4-3-14(20(17)24)16-9-18(31-30-16)28-21-27-15(13-11-26-32(2)12-13)10-19-25-7-8-33(19)21/h7-12,14,17,20H,3-6H2,1-2H3,(H,29,34)(H2,27,28,30,31)/t14-,17-,20+/m0/s1
InChIKeyZDACQBVTHZLEMO-GZRFBZBPSA-N
MW479.52 g/mol
LogP3.46
Rot. Bonds6

About [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142559) has the molecular formula C23H26FN9O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142559
Molecular FormulaC23H26FN9O2
Molecular Weight479.52 g/mol
Exact Mass479.22
IUPAC Name[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCn1cc(-c2cc3nccn3c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)n2)cn1
InChIInChI=1S/C23H26FN9O2/c1-23(5-6-23)29-22(34)35-17-4-3-14(20(17)24)16-9-18(31-30-16)28-21-27-15(13-11-26-32(2)12-13)10-19-25-7-8-33(19)21/h7-12,14,17,20H,3-6H2,1-2H3,(H,29,34)(H2,27,28,30,31)/t14-,17-,20+/m0/s1
InChIKeyZDACQBVTHZLEMO-GZRFBZBPSA-N
XLogP3.46
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169142559) is [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cn1cc(-c2cc3nccn3c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)n2)cn1.
What is the InChIKey of [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is ZDACQBVTHZLEMO-GZRFBZBPSA-N. The full InChI is InChI=1S/C23H26FN9O2/c1-23(5-6-23)29-22(34)35-17-4-3-14(20(17)24)16-9-18(31-30-16)28-21-27-15(13-11-26-32(2)12-13)10-19-25-7-8-33(19)21/h7-12,14,17,20H,3-6H2,1-2H3,(H,29,34)(H2,27,28,30,31)/t14-,17-,20+/m0/s1.
What are the key properties of [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 479.52 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-fluoro-3-[3-[[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).