tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C46H57N11O8 — CID 157288264

IUPACtert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CC[C@@]3(C)O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC[C@@]3(C)O)c2c1
InChIInChI=1S/C26H33N5O5.C20H24N6O3/c1-25(2,3)36-24(33)30(5)22-14-17(29-19-8-7-11-27-23(19)35-6)13-20-18(15-28-31(20)22)21(32)12-16-9-10-26(16,4)34;1-20(28)7-6-12(20)9-15(27)13-11-23-26-17(21-2)10-16(25-18(13)26)24-14-5-4-8-22-19(14)29-3/h7-8,11,13-16,29,34H,9-10,12H2,1-6H3;4-5,8,10-12,21,28H,6-7,9H2,1-3H3,(H,24,25)/t16?,26-;12?,20-/m11/s1
InChIKeyBAMNWBVJYISWKB-UWNWEVBSSA-N
MW892.03 g/mol
LogP7.24
Rot. Bonds14

About tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 157288264) has the molecular formula C46H57N11O8 and a molecular weight of 892.03 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID157288264
Molecular FormulaC46H57N11O8
Molecular Weight892.03 g/mol
Exact Mass891.44
IUPAC Nametert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CC[C@@]3(C)O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC[C@@]3(C)O)c2c1
InChIInChI=1S/C26H33N5O5.C20H24N6O3/c1-25(2,3)36-24(33)30(5)22-14-17(29-19-8-7-11-27-23(19)35-6)13-20-18(15-28-31(20)22)21(32)12-16-9-10-26(16,4)34;1-20(28)7-6-12(20)9-15(27)13-11-23-26-17(21-2)10-16(25-18(13)26)24-14-5-4-8-22-19(14)29-3/h7-8,11,13-16,29,34H,9-10,12H2,1-6H3;4-5,8,10-12,21,28H,6-7,9H2,1-3H3,(H,24,25)/t16?,26-;12?,20-/m11/s1
InChIKeyBAMNWBVJYISWKB-UWNWEVBSSA-N
XLogP7.24
TPSA231.96 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500892.03
LogP ≤ 57.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170642531
US12473304, Example 21
CID 156829869
tert-butyl N-[2-[5-fluoro-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-(6-methoxy-3-pyridinyl)-4-oxobutyl]carbamate
CID 141707030
tert-butyl N-[(3R,5R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829582
3-aminochloranuidyl-1,1-difluorocyclobutane;tert-butyl N-[5-chloro-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-(3,3-difluorocyclobutyl)acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-(3,3-difluorocyclobutyl)-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine
CID 158930353
5-[6-fluoro-2-[[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176406264
5-[6-fluoro-2-[[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176406354
5-[6-fluoro-2-[[(3S,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176406761
5-[2-[[(4R)-1-acetyl-3,3-difluoropiperidin-4-yl]amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176407331
5-[6-fluoro-2-[[(3R,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176407500
5-[2-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176407620
5-[6-fluoro-4-methoxy-2-[[1-(oxetan-3-yl)piperidin-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 176407746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 157288264) is tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)CC3CC[C@@]3(C)O)cnn12.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)CC3CC[C@@]3(C)O)c2c1.
What is the InChIKey of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is BAMNWBVJYISWKB-UWNWEVBSSA-N. The full InChI is InChI=1S/C26H33N5O5.C20H24N6O3/c1-25(2,3)36-24(33)30(5)22-14-17(29-19-8-7-11-27-23(19)35-6)13-20-18(15-28-31(20)22)21(32)12-16-9-10-26(16,4)34;1-20(28)7-6-12(20)9-15(27)13-11-23-26-17(21-2)10-16(25-18(13)26)24-14-5-4-8-22-19(14)29-3/h7-8,11,13-16,29,34H,9-10,12H2,1-6H3;4-5,8,10-12,21,28H,6-7,9H2,1-3H3,(H,24,25)/t16?,26-;12?,20-/m11/s1.
What are the key properties of tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 892.03 g/mol, XLogP of 7.24, 14 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyridin-7-yl]-N-methylcarbamate;2-[(2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 157288264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).