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

C24H30N6O5 — CID 176913760

IUPACtert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCOc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CCCO3)c2n1
InChIInChI=1S/C24H30N6O5/c1-24(2,3)35-23(32)29(4)20-13-19(27-17-9-6-10-25-22(17)33-5)28-21-16(14-26-30(20)21)18(31)12-15-8-7-11-34-15/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,27,28)
InChIKeyZMIRHQDUKCNTMC-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.00
Rot. Bonds7

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

tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 176913760) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID176913760
Molecular FormulaC24H30N6O5
Molecular Weight482.54 g/mol
Exact Mass482.23
IUPAC Nametert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCOc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CCCO3)c2n1
InChIInChI=1S/C24H30N6O5/c1-24(2,3)35-23(32)29(4)20-13-19(27-17-9-6-10-25-22(17)33-5)28-21-16(14-26-30(20)21)18(31)12-15-8-7-11-34-15/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,27,28)
InChIKeyZMIRHQDUKCNTMC-UHFFFAOYSA-N
XLogP4.00
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 158090685
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
tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 159923168
tert-butyl N-[3-[(3-hydroxy-2-methylpropyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457817
tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 142523456
ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137450424
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
(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-[(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-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457432
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of 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) is tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CCCO3)c2n1.
What is the InChIKey of tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is ZMIRHQDUKCNTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O5/c1-24(2,3)35-23(32)29(4)20-13-19(27-17-9-6-10-25-22(17)33-5)28-21-16(14-26-30(20)21)18(31)12-15-8-7-11-34-15/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,27,28).
What are the key properties of tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 482.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 176913760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).