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

C21H25F4N7O4 — CID 169141199

IUPAC[(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@@H]3F)[nH]n2)n1
InChIInChI=1S/C21H25F4N7O4/c1-10(2)26-20(33)36-14-5-4-12(18(14)22)13-6-15(31-30-13)28-19-29-17(34-3)7-16-27-11(8-32(16)19)9-35-21(23,24)25/h6-8,10,12,14,18H,4-5,9H2,1-3H3,(H,26,33)(H2,28,29,30,31)/t12-,14-,18-/m1/s1
InChIKeyXDCXNORZYURILT-RVZJWNSFSA-N
MW515.47 g/mol
LogP3.96
Rot. Bonds8

About [(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169141199) has the molecular formula C21H25F4N7O4 and a molecular weight of 515.47 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID169141199
Molecular FormulaC21H25F4N7O4
Molecular Weight515.47 g/mol
Exact Mass515.19
IUPAC Name[(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@@H]3F)[nH]n2)n1
InChIInChI=1S/C21H25F4N7O4/c1-10(2)26-20(33)36-14-5-4-12(18(14)22)13-6-15(31-30-13)28-19-29-17(34-3)7-16-27-11(8-32(16)19)9-35-21(23,24)25/h6-8,10,12,14,18H,4-5,9H2,1-3H3,(H,26,33)(H2,28,29,30,31)/t12-,14-,18-/m1/s1
InChIKeyXDCXNORZYURILT-RVZJWNSFSA-N
XLogP3.96
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.47
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169141199) is [(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is COc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)[C@@H]3F)[nH]n2)n1.
What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is XDCXNORZYURILT-RVZJWNSFSA-N. The full InChI is InChI=1S/C21H25F4N7O4/c1-10(2)26-20(33)36-14-5-4-12(18(14)22)13-6-15(31-30-13)28-19-29-17(34-3)7-16-27-11(8-32(16)19)9-35-21(23,24)25/h6-8,10,12,14,18H,4-5,9H2,1-3H3,(H,26,33)(H2,28,29,30,31)/t12-,14-,18-/m1/s1.
What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[7-methoxy-2-(trifluoromethoxymethyl)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-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 515.47 g/mol, XLogP of 3.96, 8 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-methoxy-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169141199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).