N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H31N5O3 — CID 162119231

IUPACN-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)c1ncoc1C(=O)N1CCC(CCCCNC(=O)C2C=c3cnccc3=N2)CC1
InChIInChI=1S/C24H31N5O3/c1-16(2)21-22(32-15-27-21)24(31)29-11-7-17(8-12-29)5-3-4-9-26-23(30)20-13-18-14-25-10-6-19(18)28-20/h6,10,13-17,20H,3-5,7-9,11-12H2,1-2H3,(H,26,30)
InChIKeyZHENGBPHJUQIMF-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.81
Rot. Bonds8

About N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 162119231) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID162119231
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)c1ncoc1C(=O)N1CCC(CCCCNC(=O)C2C=c3cnccc3=N2)CC1
InChIInChI=1S/C24H31N5O3/c1-16(2)21-22(32-15-27-21)24(31)29-11-7-17(8-12-29)5-3-4-9-26-23(30)20-13-18-14-25-10-6-19(18)28-20/h6,10,13-17,20H,3-5,7-9,11-12H2,1-2H3,(H,26,30)
InChIKeyZHENGBPHJUQIMF-UHFFFAOYSA-N
XLogP1.81
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 162119231) is N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(C)c1ncoc1C(=O)N1CCC(CCCCNC(=O)C2C=c3cnccc3=N2)CC1.
What is the InChIKey of N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ZHENGBPHJUQIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(2)21-22(32-15-27-21)24(31)29-11-7-17(8-12-29)5-3-4-9-26-23(30)20-13-18-14-25-10-6-19(18)28-20/h6,10,13-17,20H,3-5,7-9,11-12H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-propan-2-yl-1,3-oxazole-5-carbonyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 162119231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).