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

C21H26FN7O3 — CID 167293686

IUPAC[3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc2c(Nc3cc(C4CCC(OC(=O)NC5(C)CC5)C4)[nH]n3)nc(F)cn2n1
InChIInChI=1S/C21H26FN7O3/c1-21(5-6-21)25-20(30)32-14-4-3-12(7-14)15-9-18(27-26-15)24-19-16-8-13(11-31-2)28-29(16)10-17(22)23-19/h8-10,12,14H,3-7,11H2,1-2H3,(H,25,30)(H2,23,24,26,27)
InChIKeyQBSBYRRURDLJPL-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.40
Rot. Bonds7

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

[3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167293686) has the molecular formula C21H26FN7O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID167293686
Molecular FormulaC21H26FN7O3
Molecular Weight443.48 g/mol
Exact Mass443.21
IUPAC Name[3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCOCc1cc2c(Nc3cc(C4CCC(OC(=O)NC5(C)CC5)C4)[nH]n3)nc(F)cn2n1
InChIInChI=1S/C21H26FN7O3/c1-21(5-6-21)25-20(30)32-14-4-3-12(7-14)15-9-18(27-26-15)24-19-16-8-13(11-31-2)28-29(16)10-17(22)23-19/h8-10,12,14H,3-7,11H2,1-2H3,(H,25,30)(H2,23,24,26,27)
InChIKeyQBSBYRRURDLJPL-UHFFFAOYSA-N
XLogP3.40
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 171346803
2-[(4-fluorophenyl)-(oxan-4-yloxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45101416
2-[ethoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107660
2-[2-(tert-butylamino)ethoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107662
2-[2-ethoxyethoxy-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107851
[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl] (2S)-2-aminopropanoate
CID 45107892
[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl] 2-methyl-2-(methylamino)propanoate
CID 45107895
2-[(4-fluorophenyl)-methoxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107896
5-(4-fluorophenyl)-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1,3-oxazolidin-2-one
CID 58494326
2-[(4-fluorophenyl)-[(3R)-oxolan-3-yl]oxymethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494359
[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl] 2-amino-2-methylpropanoate
CID 58494372
5-[2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3-oxazolidin-2-one
CID 58494382

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167293686) is [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cc2c(Nc3cc(C4CCC(OC(=O)NC5(C)CC5)C4)[nH]n3)nc(F)cn2n1.
What is the InChIKey of [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is QBSBYRRURDLJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN7O3/c1-21(5-6-21)25-20(30)32-14-4-3-12(7-14)15-9-18(27-26-15)24-19-16-8-13(11-31-2)28-29(16)10-17(22)23-19/h8-10,12,14H,3-7,11H2,1-2H3,(H,25,30)(H2,23,24,26,27).
What are the key properties of [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 443.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[6-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167293686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).