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

C22H28N6O — CID 86278565

IUPAC1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(ccn4C4CCCC4)cn3)n2)CC1
InChIInChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
InChIKeyBYMFSZLMPVZBJV-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.30
Rot. Bonds5

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

1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 86278565) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine
PubChem CID86278565
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(ccn4C4CCCC4)cn3)n2)CC1
InChIInChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26)
InChIKeyBYMFSZLMPVZBJV-UHFFFAOYSA-N
XLogP4.30
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine (CID 86278565) is 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(ccn4C4CCCC4)cn3)n2)CC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is BYMFSZLMPVZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-29-18-8-11-27(12-9-18)22-23-10-6-20(26-22)25-21-14-19-16(15-24-21)7-13-28(19)17-4-2-3-5-17/h6-7,10,13-15,17-18H,2-5,8-9,11-12H2,1H3,(H,23,24,25,26).
What are the key properties of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine?
1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 392.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 86278565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).