tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate

C27H34N6O3 — CID 69275231

IUPACtert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(NCC3CCCN3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H34N6O3/c1-6-35-21-11-9-20(10-12-21)32(26(34)36-27(3,4)5)25-18(2)24(30-17-19-8-7-14-29-19)22(16-28)23-13-15-31-33(23)25/h9-13,15,19,29-30H,6-8,14,17H2,1-5H3
InChIKeyAFDKZVQKYKHSDH-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.15
Rot. Bonds7

About tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate

tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate (PubChem CID 69275231) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
PubChem CID69275231
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Nametert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(NCC3CCCN3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H34N6O3/c1-6-35-21-11-9-20(10-12-21)32(26(34)36-27(3,4)5)25-18(2)24(30-17-19-8-7-14-29-19)22(16-28)23-13-15-31-33(23)25/h9-13,15,19,29-30H,6-8,14,17H2,1-5H3
InChIKeyAFDKZVQKYKHSDH-UHFFFAOYSA-N
XLogP5.15
TPSA103.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1-(2,3-Dihydro-1-(4-methoxy-2-methylphenyl)-6-methyl-1H-pyrrolo(2,3-b)pyridin-4-yl)-1H-pyrazol-3-yl)-2-imidazolidinone
CID 11223423
1-[1-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one
CID 11200917
1-[1-[1-(4-Ethoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 11235455
1-[1-[6-Methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 11317069
3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1H-imidazol-2-one
CID 11338604
1-[1-[1-[2-(Difluoromethyl)-4-methoxyphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 11374063
5-[(3S)-3-piperidylamino]-7-(4-ethoxyphenylamino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11852873
1-[1-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-diazinan-2-one
CID 11983528
5-[(4-Aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11993960
5-[(4-Aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11993962
7-(4-Ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11993963
5-[(4-Aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-propan-2-ylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11994091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate (CID 69275231) is tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate is CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(C)c(NCC3CCCN3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
The InChIKey is AFDKZVQKYKHSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-6-35-21-11-9-20(10-12-21)32(26(34)36-27(3,4)5)25-18(2)24(30-17-19-8-7-14-29-19)22(16-28)23-13-15-31-33(23)25/h9-13,15,19,29-30H,6-8,14,17H2,1-5H3.
What are the key properties of tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate has a molecular weight of 490.61 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 69275231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).