1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

C27H32N4O — CID 158061640

IUPAC1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2c(C)cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cc12
InChIInChI=1S/C27H32N4O/c1-5-25(32)22-15-29-31-17(4)12-20(14-24(22)31)27-26(16(2)3)21-13-19(6-7-23(21)30-27)18-8-10-28-11-9-18/h6-7,12-16,18,28,30H,5,8-11H2,1-4H3
InChIKeyFKSKCUXZCKGBQV-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.97
Rot. Bonds5

About 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (PubChem CID 158061640) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
PubChem CID158061640
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2c(C)cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cc12
InChIInChI=1S/C27H32N4O/c1-5-25(32)22-15-29-31-17(4)12-20(14-24(22)31)27-26(16(2)3)21-13-19(6-7-23(21)30-27)18-8-10-28-11-9-18/h6-7,12-16,18,28,30H,5,8-11H2,1-4H3
InChIKeyFKSKCUXZCKGBQV-UHFFFAOYSA-N
XLogP5.97
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (CID 158061640) is 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is CCC(=O)c1cnn2c(C)cc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cc12.
What is the InChIKey of 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The InChIKey is FKSKCUXZCKGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-5-25(32)22-15-29-31-17(4)12-20(14-24(22)31)27-26(16(2)3)21-13-19(6-7-23(21)30-27)18-8-10-28-11-9-18/h6-7,12-16,18,28,30H,5,8-11H2,1-4H3.
What are the key properties of 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one has a molecular weight of 428.58 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 158061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).