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

C20H26N6O — CID 90183809

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(ccn4C(C)C)cn3)n2)CC1
InChIInChI=1S/C20H26N6O/c1-14(2)26-11-5-15-13-22-19(12-17(15)26)23-18-4-8-21-20(24-18)25-9-6-16(27-3)7-10-25/h4-5,8,11-14,16H,6-7,9-10H2,1-3H3,(H,21,22,23,24)
InChIKeyFQXIPYVUOFUNCY-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.77
Rot. Bonds5

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

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine (PubChem CID 90183809) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
PubChem CID90183809
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(ccn4C(C)C)cn3)n2)CC1
InChIInChI=1S/C20H26N6O/c1-14(2)26-11-5-15-13-22-19(12-17(15)26)23-18-4-8-21-20(24-18)25-9-6-16(27-3)7-10-25/h4-5,8,11-14,16H,6-7,9-10H2,1-3H3,(H,21,22,23,24)
InChIKeyFQXIPYVUOFUNCY-UHFFFAOYSA-N
XLogP3.77
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine (CID 90183809) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-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]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(ccn4C(C)C)cn3)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is FQXIPYVUOFUNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14(2)26-11-5-15-13-22-19(12-17(15)26)23-18-4-8-21-20(24-18)25-9-6-16(27-3)7-10-25/h4-5,8,11-14,16H,6-7,9-10H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 366.47 g/mol, XLogP of 3.77, 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]-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 90183809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).