(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C18H22N8O — CID 165422967

IUPAC(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)c1cc(C(=O)N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)nc(N)n1
InChIInChI=1S/C18H22N8O/c1-10(2)13-4-14(24-18(19)23-13)17(27)26-7-12(11-5-22-25(3)6-11)16-15(8-26)20-9-21-16/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,21)(H2,19,23,24)
InChIKeyPAPBRABZYALMMD-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.43
Rot. Bonds3

About (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165422967) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165422967
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC(C)c1cc(C(=O)N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)nc(N)n1
InChIInChI=1S/C18H22N8O/c1-10(2)13-4-14(24-18(19)23-13)17(27)26-7-12(11-5-22-25(3)6-11)16-15(8-26)20-9-21-16/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,21)(H2,19,23,24)
InChIKeyPAPBRABZYALMMD-UHFFFAOYSA-N
XLogP1.43
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165422967) is (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)c1cc(C(=O)N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)nc(N)n1.
What is the InChIKey of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is PAPBRABZYALMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-10(2)13-4-14(24-18(19)23-13)17(27)26-7-12(11-5-22-25(3)6-11)16-15(8-26)20-9-21-16/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,21)(H2,19,23,24).
What are the key properties of (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165422967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).