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

C25H31N7O5 — CID 137450392

IUPACtert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C25H31N7O5/c1-25(2,3)37-24(35)31(4)20-12-19(28-17-6-5-11-26-23(17)36-14-7-8-14)30-21-15(13-27-32(20)21)22(34)29-16-9-10-18(16)33/h5-6,11-14,16,18,33H,7-10H2,1-4H3,(H,28,30)(H,29,34)/t16-,18+/m0/s1
InChIKeyGZPWRJAEJSRAOD-FUHWJXTLSA-N
MW509.57 g/mol
LogP3.03
Rot. Bonds7

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

tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 137450392) has the molecular formula C25H31N7O5 and a molecular weight of 509.57 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID137450392
Molecular FormulaC25H31N7O5
Molecular Weight509.57 g/mol
Exact Mass509.24
IUPAC Nametert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C25H31N7O5/c1-25(2,3)37-24(35)31(4)20-12-19(28-17-6-5-11-26-23(17)36-14-7-8-14)30-21-15(13-27-32(20)21)22(34)29-16-9-10-18(16)33/h5-6,11-14,16,18,33H,7-10H2,1-4H3,(H,28,30)(H,29,34)/t16-,18+/m0/s1
InChIKeyGZPWRJAEJSRAOD-FUHWJXTLSA-N
XLogP3.03
TPSA143.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 142523456
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-[(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-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441543
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441489
tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146572580
tert-butyl N-[5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 146559341
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-[5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of 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) is tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Nc2cccnc2OC2CC2)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.
What is the InChIKey of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is GZPWRJAEJSRAOD-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H31N7O5/c1-25(2,3)37-24(35)31(4)20-12-19(28-17-6-5-11-26-23(17)36-14-7-8-14)30-21-15(13-27-32(20)21)22(34)29-16-9-10-18(16)33/h5-6,11-14,16,18,33H,7-10H2,1-4H3,(H,28,30)(H,29,34)/t16-,18+/m0/s1.
What are the key properties of tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 509.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 137450392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).