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

C20H27N7O3 — CID 164879515

IUPACpropan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCOCc1cc2c(Nc3cc(C4CCC(NC(=O)OC(C)C)C4)[nH]n3)nccn2n1
InChIInChI=1S/C20H27N7O3/c1-12(2)30-20(28)22-14-5-4-13(8-14)16-10-18(25-24-16)23-19-17-9-15(11-29-3)26-27(17)7-6-21-19/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,22,28)(H2,21,23,24,25)
InChIKeyBWLUQEGFQYLLLK-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.11
Rot. Bonds7

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

propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 164879515) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
PubChem CID164879515
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Namepropan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCOCc1cc2c(Nc3cc(C4CCC(NC(=O)OC(C)C)C4)[nH]n3)nccn2n1
InChIInChI=1S/C20H27N7O3/c1-12(2)30-20(28)22-14-5-4-13(8-14)16-10-18(25-24-16)23-19-17-9-15(11-29-3)26-27(17)7-6-21-19/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,22,28)(H2,21,23,24,25)
InChIKeyBWLUQEGFQYLLLK-UHFFFAOYSA-N
XLogP3.11
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169143416
[(3S,5S)-5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 171719062
N-[5-(3-fluoro-4-methoxycyclopentyl)-1H-pyrazol-3-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 170127451
[3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293924
[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate
CID 174240402
[(1R,2S,4S)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142650
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[(1R,3S)-3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 167293866
[3-[3-[[2-[(4-methylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293707
[(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141697
[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142348
[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propylcarbamate
CID 164880026

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (CID 164879515) is propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is COCc1cc2c(Nc3cc(C4CCC(NC(=O)OC(C)C)C4)[nH]n3)nccn2n1.
What is the InChIKey of propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The InChIKey is BWLUQEGFQYLLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-12(2)30-20(28)22-14-5-4-13(8-14)16-10-18(25-24-16)23-19-17-9-15(11-29-3)26-27(17)7-6-21-19/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,22,28)(H2,21,23,24,25).
What are the key properties of propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 413.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 164879515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).