1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol

C19H25N7O — CID 118661813

IUPAC1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc2cnc(Nc3ccnc(N4CCC(O)CC4)n3)cc2n1C(C)C
InChIInChI=1S/C19H25N7O/c1-12(2)26-13(3)22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27)6-9-25/h4,7,10-12,14,27H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
InChIKeyCETLUXCQLCEHTG-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol

1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 118661813) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
PubChem CID118661813
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc2cnc(Nc3ccnc(N4CCC(O)CC4)n3)cc2n1C(C)C
InChIInChI=1S/C19H25N7O/c1-12(2)26-13(3)22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27)6-9-25/h4,7,10-12,14,27H,5-6,8-9H2,1-3H3,(H,20,21,23,24)
InChIKeyCETLUXCQLCEHTG-UHFFFAOYSA-N
XLogP2.82
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol (CID 118661813) is 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol is Cc1nc2cnc(Nc3ccnc(N4CCC(O)CC4)n3)cc2n1C(C)C.
What is the InChIKey of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is CETLUXCQLCEHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-12(2)26-13(3)22-15-11-21-18(10-16(15)26)23-17-4-7-20-19(24-17)25-8-5-14(27)6-9-25/h4,7,10-12,14,27H,5-6,8-9H2,1-3H3,(H,20,21,23,24).
What are the key properties of 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 367.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 118661813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).