4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine

C19H21N9O — CID 130234627

IUPAC4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(-c3nc(N)cc4[nH]c(-c5cn[nH]c5)nc34)n2)CC1
InChIInChI=1S/C19H21N9O/c1-29-12-3-6-28(7-4-12)19-21-5-2-13(25-19)16-17-14(8-15(20)26-16)24-18(27-17)11-9-22-23-10-11/h2,5,8-10,12H,3-4,6-7H2,1H3,(H2,20,26)(H,22,23)(H,24,27)
InChIKeyURVBEGKTHNYKSX-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.00
Rot. Bonds4

About 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine

4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine (PubChem CID 130234627) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine
PubChem CID130234627
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(-c3nc(N)cc4[nH]c(-c5cn[nH]c5)nc34)n2)CC1
InChIInChI=1S/C19H21N9O/c1-29-12-3-6-28(7-4-12)19-21-5-2-13(25-19)16-17-14(8-15(20)26-16)24-18(27-17)11-9-22-23-10-11/h2,5,8-10,12H,3-4,6-7H2,1H3,(H2,20,26)(H,22,23)(H,24,27)
InChIKeyURVBEGKTHNYKSX-UHFFFAOYSA-N
XLogP2.00
TPSA134.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine (CID 130234627) is 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(-c3nc(N)cc4[nH]c(-c5cn[nH]c5)nc34)n2)CC1.
What is the InChIKey of 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine?
The InChIKey is URVBEGKTHNYKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-29-12-3-6-28(7-4-12)19-21-5-2-13(25-19)16-17-14(8-15(20)26-16)24-18(27-17)11-9-22-23-10-11/h2,5,8-10,12H,3-4,6-7H2,1H3,(H2,20,26)(H,22,23)(H,24,27).
What are the key properties of 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine?
4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine has a molecular weight of 391.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 130234627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).