6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one

C19H25N7O2 — CID 118720012

IUPAC6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)[nH]c(=O)n4C(C)C)n2)CC1
InChIInChI=1S/C19H25N7O2/c1-12(2)26-15-10-17(21-11-14(15)22-19(26)27)23-16-4-7-20-18(24-16)25-8-5-13(28-3)6-9-25/h4,7,10-13H,5-6,8-9H2,1-3H3,(H,22,27)(H,20,21,23,24)
InChIKeyWZDSFVPXEYTOHO-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.45
Rot. Bonds5

About 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one

6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 118720012) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID118720012
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)[nH]c(=O)n4C(C)C)n2)CC1
InChIInChI=1S/C19H25N7O2/c1-12(2)26-15-10-17(21-11-14(15)22-19(26)27)23-16-4-7-20-18(24-16)25-8-5-13(28-3)6-9-25/h4,7,10-13H,5-6,8-9H2,1-3H3,(H,22,27)(H,20,21,23,24)
InChIKeyWZDSFVPXEYTOHO-UHFFFAOYSA-N
XLogP2.45
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one (CID 118720012) is 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one is COC1CCN(c2nccc(Nc3cc4c(cn3)[nH]c(=O)n4C(C)C)n2)CC1.
What is the InChIKey of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is WZDSFVPXEYTOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-12(2)26-15-10-17(21-11-14(15)22-19(26)27)23-16-4-7-20-18(24-16)25-8-5-13(28-3)6-9-25/h4,7,10-13H,5-6,8-9H2,1-3H3,(H,22,27)(H,20,21,23,24).
What are the key properties of 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 383.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118720012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).