[(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

C22H26F3N7O3 — CID 169140792

IUPAC[(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C(F)F)cc2n1
InChIInChI=1S/C22H26F3N7O3/c1-22(5-6-22)29-21(33)35-15-4-3-12(18(15)23)13-7-16(31-30-13)28-20-27-14(19(24)25)8-17-26-11(10-34-2)9-32(17)20/h7-9,12,15,18-19H,3-6,10H2,1-2H3,(H,29,33)(H2,27,28,30,31)/t12-,15-,18+/m0/s1
InChIKeyXLBMQBWLKCTCAM-XLWVJDPXSA-N
MW493.49 g/mol
LogP4.14
Rot. Bonds8

About [(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169140792) has the molecular formula C22H26F3N7O3 and a molecular weight of 493.49 g/mol. Its IUPAC name is [(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[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-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169140792
Molecular FormulaC22H26F3N7O3
Molecular Weight493.49 g/mol
Exact Mass493.20
IUPAC Name[(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C(F)F)cc2n1
InChIInChI=1S/C22H26F3N7O3/c1-22(5-6-22)29-21(33)35-15-4-3-12(18(15)23)13-7-16(31-30-13)28-20-27-14(19(24)25)8-17-26-11(10-34-2)9-32(17)20/h7-9,12,15,18-19H,3-6,10H2,1-2H3,(H,29,33)(H2,27,28,30,31)/t12-,15-,18+/m0/s1
InChIKeyXLBMQBWLKCTCAM-XLWVJDPXSA-N
XLogP4.14
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[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-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[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-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169140792) is [(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[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-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[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-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc([C@@H]4CC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C(F)F)cc2n1.
What is the InChIKey of [(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is XLBMQBWLKCTCAM-XLWVJDPXSA-N. The full InChI is InChI=1S/C22H26F3N7O3/c1-22(5-6-22)29-21(33)35-15-4-3-12(18(15)23)13-7-16(31-30-13)28-20-27-14(19(24)25)8-17-26-11(10-34-2)9-32(17)20/h7-9,12,15,18-19H,3-6,10H2,1-2H3,(H,29,33)(H2,27,28,30,31)/t12-,15-,18+/m0/s1.
What are the key properties of [(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,3S)-3-[3-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 493.49 g/mol, XLogP of 4.14, 8 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-[[7-(difluoromethyl)-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169140792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).