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[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C21H26FN7O4 — CID 169142321

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C)cn2n1
InChIInChI=1S/C21H26FN7O4/c1-11-8-29-14(6-12(28-29)9-31-3)19(23-11)24-16-7-13(26-27-16)18-17(22)15(10-32-18)33-20(30)25-21(2)4-5-21/h6-8,15,17-18H,4-5,9-10H2,1-3H3,(H,25,30)(H2,23,24,26,27)/t15-,17-,18-/m0/s1
InChIKeyUQHYRRXFDOFZCG-SZMVWBNQSA-N
MW459.48 g/mol
LogP2.71
Rot. Bonds7

About [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142321) has the molecular formula C21H26FN7O4 and a molecular weight of 459.48 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID169142321
Molecular FormulaC21H26FN7O4
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC Name[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C)cn2n1
InChIInChI=1S/C21H26FN7O4/c1-11-8-29-14(6-12(28-29)9-31-3)19(23-11)24-16-7-13(26-27-16)18-17(22)15(10-32-18)33-20(30)25-21(2)4-5-21/h6-8,15,17-18H,4-5,9-10H2,1-3H3,(H,25,30)(H2,23,24,26,27)/t15-,17-,18-/m0/s1
InChIKeyUQHYRRXFDOFZCG-SZMVWBNQSA-N
XLogP2.71
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-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 [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169142321) is [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is COCc1cc2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C)cn2n1.
What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is UQHYRRXFDOFZCG-SZMVWBNQSA-N. The full InChI is InChI=1S/C21H26FN7O4/c1-11-8-29-14(6-12(28-29)9-31-3)19(23-11)24-16-7-13(26-27-16)18-17(22)15(10-32-18)33-20(30)25-21(2)4-5-21/h6-8,15,17-18H,4-5,9-10H2,1-3H3,(H,25,30)(H2,23,24,26,27)/t15-,17-,18-/m0/s1.
What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 459.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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