5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C27H34N6O — CID 166789977

IUPAC5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCN(CC)c1ncccc1-c1cc(NCc2ccc(OC)cc2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C27H34N6O/c1-7-32(8-2)27-22(10-9-15-28-27)23-16-24(29-17-20-11-13-21(34-6)14-12-20)26-25(30-23)19(5)31-33(26)18(3)4/h9-16,18H,7-8,17H2,1-6H3,(H,29,30)
InChIKeyUYXSVTFZYBVCTG-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.85
Rot. Bonds9

About 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 166789977) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID166789977
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCN(CC)c1ncccc1-c1cc(NCc2ccc(OC)cc2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C27H34N6O/c1-7-32(8-2)27-22(10-9-15-28-27)23-16-24(29-17-20-11-13-21(34-6)14-12-20)26-25(30-23)19(5)31-33(26)18(3)4/h9-16,18H,7-8,17H2,1-6H3,(H,29,30)
InChIKeyUYXSVTFZYBVCTG-UHFFFAOYSA-N
XLogP5.85
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155376178
5-(3-ethoxypyridazin-4-yl)-3-methyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692753
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692757
N-[[2-(difluoromethyl)tetrazol-5-yl]methyl]-5-(2-ethoxy-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 146593933
5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 138692759
1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
CID 155376493
N-[(4-butan-2-ylphenyl)methyl]-2-ethyl-5-[2-[ethyl(methyl)amino]-3-pyridinyl]-3-methyl-1-propan-2-ylpyrrolo[3,2-b]pyridin-7-amine
CID 146420669
5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155339165
N-(1-aminoethylidene)-2-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]amino]ethanimidamide
CID 138746762
21-[(4-methoxyphenyl)methyl]-26-methyl-24-propan-2-yl-8,13-dioxa-6,15,18,21,24,25,28-heptazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14,16,18,22(29),23(27),25-decaene
CID 138718832
1-[(2R)-butan-2-yl]-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138522157

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 166789977) is 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCN(CC)c1ncccc1-c1cc(NCc2ccc(OC)cc2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is UYXSVTFZYBVCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-7-32(8-2)27-22(10-9-15-28-27)23-16-24(29-17-20-11-13-21(34-6)14-12-20)26-25(30-23)19(5)31-33(26)18(3)4/h9-16,18H,7-8,17H2,1-6H3,(H,29,30).
What are the key properties of 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 458.61 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)-3-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 166789977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).