[(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

C19H25N7O4 — CID 171719062

IUPAC[(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
SMILESCOCc1cc2c(Nc3cc([C@@H]4C[C@H](OC(=O)NC(C)C)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C19H25N7O4/c1-11(2)21-19(27)30-13-7-16(29-10-13)14-8-17(24-23-14)22-18-15-6-12(9-28-3)25-26(15)5-4-20-18/h4-6,8,11,13,16H,7,9-10H2,1-3H3,(H,21,27)(H2,20,22,23,24)/t13-,16-/m0/s1
InChIKeyKGXAMRDZYNSEEY-BBRMVZONSA-N
MW415.45 g/mol
LogP2.31
Rot. Bonds7

About [(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

[(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 (PubChem CID 171719062) has the molecular formula C19H25N7O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID171719062
Molecular FormulaC19H25N7O4
Molecular Weight415.45 g/mol
Exact Mass415.20
IUPAC Name[(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
SMILESCOCc1cc2c(Nc3cc([C@@H]4C[C@H](OC(=O)NC(C)C)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C19H25N7O4/c1-11(2)21-19(27)30-13-7-16(29-10-13)14-8-17(24-23-14)22-18-15-6-12(9-28-3)25-26(15)5-4-20-18/h4-6,8,11,13,16H,7,9-10H2,1-3H3,(H,21,27)(H2,20,22,23,24)/t13-,16-/m0/s1
InChIKeyKGXAMRDZYNSEEY-BBRMVZONSA-N
XLogP2.31
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[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
[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
[(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,4S,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169143430
[3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293924
propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164879515
[3-[3-[[2-[(methylsulfinimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293814
[(1S,2R,3S)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169141173
[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
[(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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COCc1cc2c(Nc3cc([C@@H]4C[C@H](OC(=O)NC(C)C)CO4)[nH]n3)nccn2n1.
What is the InChIKey of [(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?
The InChIKey is KGXAMRDZYNSEEY-BBRMVZONSA-N. The full InChI is InChI=1S/C19H25N7O4/c1-11(2)21-19(27)30-13-7-16(29-10-13)14-8-17(24-23-14)22-18-15-6-12(9-28-3)25-26(15)5-4-20-18/h4-6,8,11,13,16H,7,9-10H2,1-3H3,(H,21,27)(H2,20,22,23,24)/t13-,16-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 415.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 171719062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).