tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C25H31N7O4 — CID 142523456

IUPACtert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C25H31N7O4/c1-25(2,3)36-24(34)31(4)20-13-19(29-18-9-6-12-26-23(18)35-16-10-11-16)30-21-17(14-27-32(20)21)22(33)28-15-7-5-8-15/h6,9,12-16H,5,7-8,10-11H2,1-4H3,(H,28,33)(H,29,30)
InChIKeyKTIHEFQYYWZART-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.06
Rot. Bonds7

About tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 142523456) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID142523456
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC Nametert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C25H31N7O4/c1-25(2,3)36-24(34)31(4)20-13-19(29-18-9-6-12-26-23(18)35-16-10-11-16)30-21-17(14-27-32(20)21)22(33)28-15-7-5-8-15/h6,9,12-16H,5,7-8,10-11H2,1-4H3,(H,28,33)(H,29,30)
InChIKeyKTIHEFQYYWZART-UHFFFAOYSA-N
XLogP4.06
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457432
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450392
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[(3-hydroxy-3-methylbutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457668
tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 159923168
5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137449309
ethane;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142524014
(1R)-2-aminocyclopentan-1-ol;tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[2-[(2R)-2-hydroxycyclopentyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2R)-2-hydroxycyclopentyl]ethanone;1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-hydroxycyclopentyl]ethanone;bis(1-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2R)-2-hydroxycyclopentyl]ethanone);5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 159936345
tert-butyl N-[3-[[(1S,3S)-3-hydroxycyclohexyl]carbamoyl]-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139401917
tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 176913760
tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
CID 137449291
tert-butyl N-[5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-3-[[(1R,3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146570244
tert-butyl N-methyl-N-[3-[(3-methylcyclohexyl)carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 137450955

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 142523456) is tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is KTIHEFQYYWZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-25(2,3)36-24(34)31(4)20-13-19(29-18-9-6-12-26-23(18)35-16-10-11-16)30-21-17(14-27-32(20)21)22(33)28-15-7-5-8-15/h6,9,12-16H,5,7-8,10-11H2,1-4H3,(H,28,33)(H,29,30).
What are the key properties of tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 493.57 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 142523456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).