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

C23H28N8O — CID 86278566

IUPACN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)cc(-c3cn[nH]c3)n4C(C)C)n2)CC1
InChIInChI=1S/C23H28N8O/c1-15(2)31-19(17-13-26-27-14-17)10-16-12-25-22(11-20(16)31)28-21-4-7-24-23(29-21)30-8-5-18(32-3)6-9-30/h4,7,10-15,18H,5-6,8-9H2,1-3H3,(H,26,27)(H,24,25,28,29)
InChIKeyGZCREURYZWXRHS-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.16
Rot. Bonds6

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

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 86278566) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID86278566
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)cc(-c3cn[nH]c3)n4C(C)C)n2)CC1
InChIInChI=1S/C23H28N8O/c1-15(2)31-19(17-13-26-27-14-17)10-16-12-25-22(11-20(16)31)28-21-4-7-24-23(29-21)30-8-5-18(32-3)6-9-30/h4,7,10-15,18H,5-6,8-9H2,1-3H3,(H,26,27)(H,24,25,28,29)
InChIKeyGZCREURYZWXRHS-UHFFFAOYSA-N
XLogP4.16
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine with MolForge

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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-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine (CID 86278566) is N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[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-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)cc(-c3cn[nH]c3)n4C(C)C)n2)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is GZCREURYZWXRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-15(2)31-19(17-13-26-27-14-17)10-16-12-25-22(11-20(16)31)28-21-4-7-24-23(29-21)30-8-5-18(32-3)6-9-30/h4,7,10-15,18H,5-6,8-9H2,1-3H3,(H,26,27)(H,24,25,28,29).
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 432.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-(1H-pyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 86278566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).