[(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C23H26FN9O2 — CID 169141151

IUPAC[(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCn1cc(-c2cn3nccc3c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)n2)cn1
InChIInChI=1S/C23H26FN9O2/c1-23(6-7-23)29-22(34)35-18-4-3-14(20(18)24)15-9-19(31-30-15)28-21-17-5-8-25-33(17)12-16(27-21)13-10-26-32(2)11-13/h5,8-12,14,18,20H,3-4,6-7H2,1-2H3,(H,29,34)(H2,27,28,30,31)/t14-,18-,20-/m1/s1
InChIKeyQBJBRVOMNABBDG-LXGCGDOSSA-N
MW479.52 g/mol
LogP3.46
Rot. Bonds6

About [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141151) has the molecular formula C23H26FN9O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID169141151
Molecular FormulaC23H26FN9O2
Molecular Weight479.52 g/mol
Exact Mass479.22
IUPAC Name[(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCn1cc(-c2cn3nccc3c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)n2)cn1
InChIInChI=1S/C23H26FN9O2/c1-23(6-7-23)29-22(34)35-18-4-3-14(20(18)24)15-9-19(31-30-15)28-21-17-5-8-25-33(17)12-16(27-21)13-10-26-32(2)11-13/h5,8-12,14,18,20H,3-4,6-7H2,1-2H3,(H,29,34)(H2,27,28,30,31)/t14-,18-,20-/m1/s1
InChIKeyQBJBRVOMNABBDG-LXGCGDOSSA-N
XLogP3.46
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169141151) is [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cn1cc(-c2cn3nccc3c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)n2)cn1.
What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is QBJBRVOMNABBDG-LXGCGDOSSA-N. The full InChI is InChI=1S/C23H26FN9O2/c1-23(6-7-23)29-22(34)35-18-4-3-14(20(18)24)15-9-19(31-30-15)28-21-17-5-8-25-33(17)12-16(27-21)13-10-26-32(2)11-13/h5,8-12,14,18,20H,3-4,6-7H2,1-2H3,(H,29,34)(H2,27,28,30,31)/t14-,18-,20-/m1/s1.
What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2R,3R)-2-fluoro-3-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 479.52 g/mol, XLogP of 3.46, 6 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-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).