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

C21H26FN7O5 — CID 169143243

IUPAC[(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@H]4OC[C@@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(OC)cc2n1
InChIInChI=1S/C21H26FN7O5/c1-21(4-5-21)26-20(30)34-13-10-33-18(17(13)22)12-6-14(28-27-12)24-19-25-16(32-3)7-15-23-11(9-31-2)8-29(15)19/h6-8,13,17-18H,4-5,9-10H2,1-3H3,(H,26,30)(H2,24,25,27,28)/t13-,17+,18-/m1/s1
InChIKeyIPXFQUSIYQLNHR-JEBQAFNWSA-N
MW475.48 g/mol
LogP2.41
Rot. Bonds8

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

[(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169143243) has the molecular formula C21H26FN7O5 and a molecular weight of 475.48 g/mol. Its IUPAC name is [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID169143243
Molecular FormulaC21H26FN7O5
Molecular Weight475.48 g/mol
Exact Mass475.20
IUPAC Name[(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cn2c(Nc3cc([C@H]4OC[C@@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(OC)cc2n1
InChIInChI=1S/C21H26FN7O5/c1-21(4-5-21)26-20(30)34-13-10-33-18(17(13)22)12-6-14(28-27-12)24-19-25-16(32-3)7-15-23-11(9-31-2)8-29(15)19/h6-8,13,17-18H,4-5,9-10H2,1-3H3,(H,26,30)(H2,24,25,27,28)/t13-,17+,18-/m1/s1
InChIKeyIPXFQUSIYQLNHR-JEBQAFNWSA-N
XLogP2.41
TPSA136.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169143243) is [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc([C@H]4OC[C@@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(OC)cc2n1.
What is the InChIKey of [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is IPXFQUSIYQLNHR-JEBQAFNWSA-N. The full InChI is InChI=1S/C21H26FN7O5/c1-21(4-5-21)26-20(30)34-13-10-33-18(17(13)22)12-6-14(28-27-12)24-19-25-16(32-3)7-15-23-11(9-31-2)8-29(15)19/h6-8,13,17-18H,4-5,9-10H2,1-3H3,(H,26,30)(H2,24,25,27,28)/t13-,17+,18-/m1/s1.
What are the key properties of [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 475.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-4-fluoro-5-[3-[[7-methoxy-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169143243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).