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

C20H28N6O — CID 118720013

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)CCN4C(C)C)n2)CC1
InChIInChI=1S/C20H28N6O/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/h4,8,12-14,16H,5-7,9-11H2,1-3H3,(H,21,22,23,24)
InChIKeyCAVDETKDHRPSQK-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.00
Rot. Bonds5

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

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine (PubChem CID 118720013) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine
PubChem CID118720013
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)CCN4C(C)C)n2)CC1
InChIInChI=1S/C20H28N6O/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/h4,8,12-14,16H,5-7,9-11H2,1-3H3,(H,21,22,23,24)
InChIKeyCAVDETKDHRPSQK-UHFFFAOYSA-N
XLogP3.00
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.00
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-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine (CID 118720013) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)CCN4C(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is CAVDETKDHRPSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/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/h4,8,12-14,16H,5-7,9-11H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 368.49 g/mol, XLogP of 3.00, 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-yl-2,3-dihydropyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 118720013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).