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

C19H23N7O5 — CID 174240402

IUPAC[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate
SMILESCOCc1cc2c(Nc3cc(C4CC(OC(=O)NC5COC5)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C19H23N7O5/c1-28-7-11-4-15-18(20-2-3-26(15)25-11)22-17-6-14(23-24-17)16-5-13(10-30-16)31-19(27)21-12-8-29-9-12/h2-4,6,12-13,16H,5,7-10H2,1H3,(H,21,27)(H2,20,22,23,24)
InChIKeyAVUXYOLYYVENNM-UHFFFAOYSA-N
MW429.44 g/mol
LogP1.30
Rot. Bonds7

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

[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate (PubChem CID 174240402) has the molecular formula C19H23N7O5 and a molecular weight of 429.44 g/mol. Its IUPAC name is [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate.

Molecular Properties

Compound Name[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate
PubChem CID174240402
Molecular FormulaC19H23N7O5
Molecular Weight429.44 g/mol
Exact Mass429.18
IUPAC Name[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate
SMILESCOCc1cc2c(Nc3cc(C4CC(OC(=O)NC5COC5)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C19H23N7O5/c1-28-7-11-4-15-18(20-2-3-26(15)25-11)22-17-6-14(23-24-17)16-5-13(10-30-16)31-19(27)21-12-8-29-9-12/h2-4,6,12-13,16H,5,7-10H2,1H3,(H,21,27)(H2,20,22,23,24)
InChIKeyAVUXYOLYYVENNM-UHFFFAOYSA-N
XLogP1.30
TPSA136.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

[(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
[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propylcarbamate
CID 164880026
[(3R,5R)-5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 174240395
[5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 174240398
[(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169143683
[(3R,4S,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142642
propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164879515
[(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
N-[5-(3-fluoro-4-methoxycyclopentyl)-1H-pyrazol-3-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 170127451
[(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
[(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

Frequently Asked Questions

What is the IUPAC name of [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate?
The IUPAC name of [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) is [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate.
What is the SMILES notation for [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate?
The canonical SMILES for [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate is COCc1cc2c(Nc3cc(C4CC(OC(=O)NC5COC5)CO4)[nH]n3)nccn2n1.
What is the InChIKey of [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate?
The InChIKey is AVUXYOLYYVENNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O5/c1-28-7-11-4-15-18(20-2-3-26(15)25-11)22-17-6-14(23-24-17)16-5-13(10-30-16)31-19(27)21-12-8-29-9-12/h2-4,6,12-13,16H,5,7-10H2,1H3,(H,21,27)(H2,20,22,23,24).
What are the key properties of [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate?
[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate has a molecular weight of 429.44 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(oxetan-3-yl)carbamate is sourced from PubChem (CID 174240402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).