[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C18H20BrN7O3 — CID 169141013

IUPAC[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2COC(c3cc(Nc4ncc(Br)n5nccc45)n[nH]3)C2)CC1
InChIInChI=1S/C18H20BrN7O3/c1-18(3-4-18)23-17(27)29-10-6-13(28-9-10)11-7-15(25-24-11)22-16-12-2-5-21-26(12)14(19)8-20-16/h2,5,7-8,10,13H,3-4,6,9H2,1H3,(H,23,27)(H2,20,22,24,25)
InChIKeyQHRWOJOCLDFOBL-UHFFFAOYSA-N
MW462.31 g/mol
LogP3.07
Rot. Bonds5

About [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141013) has the molecular formula C18H20BrN7O3 and a molecular weight of 462.31 g/mol. Its IUPAC name is [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID169141013
Molecular FormulaC18H20BrN7O3
Molecular Weight462.31 g/mol
Exact Mass461.08
IUPAC Name[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)OC2COC(c3cc(Nc4ncc(Br)n5nccc45)n[nH]3)C2)CC1
InChIInChI=1S/C18H20BrN7O3/c1-18(3-4-18)23-17(27)29-10-6-13(28-9-10)11-7-15(25-24-11)22-16-12-2-5-21-26(12)14(19)8-20-16/h2,5,7-8,10,13H,3-4,6,9H2,1H3,(H,23,27)(H2,20,22,24,25)
InChIKeyQHRWOJOCLDFOBL-UHFFFAOYSA-N
XLogP3.07
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142613
[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879613
[(3S,5S)-5-[3-[[(3R)-3-anilinopyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142792
[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141945
[(3S,5S)-5-[3-[[(1S,3R)-3-carbamoylcyclopentanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 170106279
[(3S,5S)-5-[3-[[2-oxo-2-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]ethyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141710
[(3R,5R)-5-[3-[[(2R)-1-oxo-1-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]propan-2-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169143445
[5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142711
[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
CID 170071305
[(3R,5R)-5-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamate
CID 170071239
[(3R,5R)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-methyloxetan-3-yl)carbamate
CID 170075803
[(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

Frequently Asked Questions

What is the IUPAC name of [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141013) is [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)OC2COC(c3cc(Nc4ncc(Br)n5nccc45)n[nH]3)C2)CC1.
What is the InChIKey of [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is QHRWOJOCLDFOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN7O3/c1-18(3-4-18)23-17(27)29-10-6-13(28-9-10)11-7-15(25-24-11)22-16-12-2-5-21-26(12)14(19)8-20-16/h2,5,7-8,10,13H,3-4,6,9H2,1H3,(H,23,27)(H2,20,22,24,25).
What are the key properties of [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 462.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(7-bromopyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).