[3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C20H26FN7O3 — CID 167293696

IUPAC[3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOCc1cc2c(Nc3cc(C4CCC(OC(=O)NC(C)C)C4)[nH]n3)ncc(F)n2n1
InChIInChI=1S/C20H26FN7O3/c1-11(2)23-20(29)31-14-5-4-12(6-14)15-8-18(26-25-15)24-19-16-7-13(10-30-3)27-28(16)17(21)9-22-19/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,23,29)(H2,22,24,25,26)
InChIKeyWFLYKVZXRKDAKK-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.25
Rot. Bonds7

About [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 167293696) has the molecular formula C20H26FN7O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID167293696
Molecular FormulaC20H26FN7O3
Molecular Weight431.47 g/mol
Exact Mass431.21
IUPAC Name[3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOCc1cc2c(Nc3cc(C4CCC(OC(=O)NC(C)C)C4)[nH]n3)ncc(F)n2n1
InChIInChI=1S/C20H26FN7O3/c1-11(2)23-20(29)31-14-5-4-12(6-14)15-8-18(26-25-15)24-19-16-7-13(10-30-3)27-28(16)17(21)9-22-19/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,23,29)(H2,22,24,25,26)
InChIKeyWFLYKVZXRKDAKK-UHFFFAOYSA-N
XLogP3.25
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate with MolForge

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Related Compounds

US20230357269, Example 163
CID 169551141
[(1R,3S)-3-[3-(1H-imidazo[4,5-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 171346803
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
[(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
[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl] (2R)-2-aminopropanoate
CID 58494393

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 167293696) is [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is COCc1cc2c(Nc3cc(C4CCC(OC(=O)NC(C)C)C4)[nH]n3)ncc(F)n2n1.
What is the InChIKey of [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is WFLYKVZXRKDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7O3/c1-11(2)23-20(29)31-14-5-4-12(6-14)15-8-18(26-25-15)24-19-16-7-13(10-30-3)27-28(16)17(21)9-22-19/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,23,29)(H2,22,24,25,26).
What are the key properties of [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 431.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[7-fluoro-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 167293696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).