[(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate

C21H25FN8O4 — CID 170123524

IUPAC[(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nc(CCCO)c(C#N)c4nccn34)n[nH]2)[C@H]1F
InChIInChI=1S/C21H25FN8O4/c1-11(2)25-21(32)34-15-10-33-18(17(15)22)14-8-16(29-28-14)27-20-26-13(4-3-7-31)12(9-23)19-24-5-6-30(19)20/h5-6,8,11,15,17-18,31H,3-4,7,10H2,1-2H3,(H,25,32)(H2,26,27,28,29)/t15-,17+,18-/m1/s1
InChIKeyLGFJVFNRMLPEOE-BPQIPLTHSA-N
MW472.48 g/mol
LogP1.91
Rot. Bonds8

About [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate

[(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 170123524) has the molecular formula C21H25FN8O4 and a molecular weight of 472.48 g/mol. Its IUPAC name is [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
PubChem CID170123524
Molecular FormulaC21H25FN8O4
Molecular Weight472.48 g/mol
Exact Mass472.20
IUPAC Name[(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nc(CCCO)c(C#N)c4nccn34)n[nH]2)[C@H]1F
InChIInChI=1S/C21H25FN8O4/c1-11(2)25-21(32)34-15-10-33-18(17(15)22)14-8-16(29-28-14)27-20-26-13(4-3-7-31)12(9-23)19-24-5-6-30(19)20/h5-6,8,11,15,17-18,31H,3-4,7,10H2,1-2H3,(H,25,32)(H2,26,27,28,29)/t15-,17+,18-/m1/s1
InChIKeyLGFJVFNRMLPEOE-BPQIPLTHSA-N
XLogP1.91
TPSA162.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate with MolForge

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Related Compounds

[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-8-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169140768
[(3R,4R,5R)-5-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
CID 169142489
[(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
CID 169142872
[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169142536
[(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169143191
[(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169142170
[(3S,4S,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169143430
[(3R,4R,5R)-4-fluoro-5-[3-[(7-methyl-8-pyridin-3-ylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170117444
[(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141393
[(3S,4R,5S)-4-fluoro-5-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169142346
[(3S,4R,5S)-5-[3-[[2-chloro-6-(3-cyanophenyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
CID 169142422
[(3R,4S,5R)-5-[3-[[2-cyano-8-(2-methylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-pentylcarbamate
CID 169141647

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
The IUPAC name of [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate (CID 170123524) is [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(Nc3nc(CCCO)c(C#N)c4nccn34)n[nH]2)[C@H]1F.
What is the InChIKey of [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
The InChIKey is LGFJVFNRMLPEOE-BPQIPLTHSA-N. The full InChI is InChI=1S/C21H25FN8O4/c1-11(2)25-21(32)34-15-10-33-18(17(15)22)14-8-16(29-28-14)27-20-26-13(4-3-7-31)12(9-23)19-24-5-6-30(19)20/h5-6,8,11,15,17-18,31H,3-4,7,10H2,1-2H3,(H,25,32)(H2,26,27,28,29)/t15-,17+,18-/m1/s1.
What are the key properties of [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?
[(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 472.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-5-[3-[[8-cyano-7-(3-hydroxypropyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170123524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).