1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid

C24H32N8O3 — CID 155142868

IUPAC1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCC(C(=O)O)C3)nn4C(C)C)n2)CC1
InChIInChI=1S/C24H32N8O3/c1-15(2)32-19-12-21(26-13-18(19)22(29-32)31-9-5-16(14-31)23(33)34)27-20-4-8-25-24(28-20)30-10-6-17(35-3)7-11-30/h4,8,12-13,15-17H,5-7,9-11,14H2,1-3H3,(H,33,34)(H,25,26,27,28)
InChIKeyCBAZCZNIMFDVSF-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.07
Rot. Bonds7

About 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid

1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid (PubChem CID 155142868) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid
PubChem CID155142868
Molecular FormulaC24H32N8O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC Name1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCC(C(=O)O)C3)nn4C(C)C)n2)CC1
InChIInChI=1S/C24H32N8O3/c1-15(2)32-19-12-21(26-13-18(19)22(29-32)31-9-5-16(14-31)23(33)34)27-20-4-8-25-24(28-20)30-10-6-17(35-3)7-11-30/h4,8,12-13,15-17H,5-7,9-11,14H2,1-3H3,(H,33,34)(H,25,26,27,28)
InChIKeyCBAZCZNIMFDVSF-UHFFFAOYSA-N
XLogP3.07
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[6-[[2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3,4-diol
CID 123868629
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
CID 134443076
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
CID 144632955
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156550602
3-fluoro-1-[4-[[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 123845664
methanethiol;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156802118
2-(2,4-dioxo-1,3-diazinan-1-yl)-5-[[[1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]piperidin-4-yl]-methylamino]methyl]isoindole-1,3-dione
CID 172610403
1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one
CID 122509893
N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 90183286
(3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 122509956
(3S,4R)-3-fluoro-1-[4-[[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 122509911
8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen
CID 156802140

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid (CID 155142868) is 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid is COC1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCC(C(=O)O)C3)nn4C(C)C)n2)CC1.
What is the InChIKey of 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is CBAZCZNIMFDVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-15(2)32-19-12-21(26-13-18(19)22(29-32)31-9-5-16(14-31)23(33)34)27-20-4-8-25-24(28-20)30-10-6-17(35-3)7-11-30/h4,8,12-13,15-17H,5-7,9-11,14H2,1-3H3,(H,33,34)(H,25,26,27,28).
What are the key properties of 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid?
1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 480.57 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155142868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).