6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

C26H36N8O2 — CID 142607761

IUPAC6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CCNCC3)cn4C(C)C)n2)CC1
InChIInChI=1S/C26H36N8O2/c1-17(2)34-16-21(25(35)30-18-4-9-27-10-5-18)20-15-29-24(14-22(20)34)31-23-6-11-28-26(32-23)33-12-7-19(36-3)8-13-33/h6,11,14-19,27H,4-5,7-10,12-13H2,1-3H3,(H,30,35)(H,28,29,31,32)
InChIKeyXDMVWRGBMKGFCU-UHFFFAOYSA-N
MW492.63 g/mol
LogP3.25
Rot. Bonds7

About 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 142607761) has the molecular formula C26H36N8O2 and a molecular weight of 492.63 g/mol. Its IUPAC name is 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID142607761
Molecular FormulaC26H36N8O2
Molecular Weight492.63 g/mol
Exact Mass492.30
IUPAC Name6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CCNCC3)cn4C(C)C)n2)CC1
InChIInChI=1S/C26H36N8O2/c1-17(2)34-16-21(25(35)30-18-4-9-27-10-5-18)20-15-29-24(14-22(20)34)31-23-6-11-28-26(32-23)33-12-7-19(36-3)8-13-33/h6,11,14-19,27H,4-5,7-10,12-13H2,1-3H3,(H,30,35)(H,28,29,31,32)
InChIKeyXDMVWRGBMKGFCU-UHFFFAOYSA-N
XLogP3.25
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 90183283
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
CID 144632955
1-butan-2-yl-6-[[2-(3-fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123776193
N-[1-[3-(4-aminocyclohexyl)propyl]piperidin-4-yl]-6-[[2-[(3S,4S)-3-fluoro-4-methoxy-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 155161573
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
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
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
N-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexan-3-yl]piperidin-4-yl]-6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 155142987
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
N-[1-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]azetidin-3-yl]oxypropyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 154639368
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-[3-[(methylsulfonimidoyl)methyl]azetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 167362049

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (CID 142607761) is 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is COC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CCNCC3)cn4C(C)C)n2)CC1.
What is the InChIKey of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is XDMVWRGBMKGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O2/c1-17(2)34-16-21(25(35)30-18-4-9-27-10-5-18)20-15-29-24(14-22(20)34)31-23-6-11-28-26(32-23)33-12-7-19(36-3)8-13-33/h6,11,14-19,27H,4-5,7-10,12-13H2,1-3H3,(H,30,35)(H,28,29,31,32).
What are the key properties of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 142607761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).