N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine

C21H28N6O — CID 144632955

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C)cn4C(C)C)n2)CC1
InChIInChI=1S/C21H28N6O/c1-14(2)27-13-15(3)17-12-23-20(11-18(17)27)24-19-5-8-22-21(25-19)26-9-6-16(28-4)7-10-26/h5,8,11-14,16H,6-7,9-10H2,1-4H3,(H,22,23,24,25)
InChIKeyBJQDIGXSBNSLAA-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine (PubChem CID 144632955) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
PubChem CID144632955
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C)cn4C(C)C)n2)CC1
InChIInChI=1S/C21H28N6O/c1-14(2)27-13-15(3)17-12-23-20(11-18(17)27)24-19-5-8-22-21(25-19)26-9-6-16(28-4)7-10-26/h5,8,11-14,16H,6-7,9-10H2,1-4H3,(H,22,23,24,25)
InChIKeyBJQDIGXSBNSLAA-UHFFFAOYSA-N
XLogP4.07
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-piperidin-4-yl-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 142607761
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]-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
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
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
2-[3-[6-[[2-[(3R,4S)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]-4-methylpyrazol-1-yl]ethanol
CID 144632905
1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
CID 90183495
2-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-nitro-4-N-propan-2-ylpyridine-2,4-diamine
CID 90177670
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
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 135157105

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine (CID 144632955) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)c(C)cn4C(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is BJQDIGXSBNSLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-14(2)27-13-15(3)17-12-23-20(11-18(17)27)24-19-5-8-22-21(25-19)26-9-6-16(28-4)7-10-26/h5,8,11-14,16H,6-7,9-10H2,1-4H3,(H,22,23,24,25).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 380.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 144632955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).