N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

C22H27N5O3 — CID 155437383

IUPACN-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccn(C2CCCC2)n1
InChIInChI=1S/C22H27N5O3/c1-29-19-12-21-23-18(15-7-10-30-11-8-15)14-26(21)13-17(19)22(28)24-20-6-9-27(25-20)16-4-2-3-5-16/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,24,25,28)
InChIKeyKOKYITMQKQXHBK-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.80
Rot. Bonds5

About N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide

N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155437383) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155437383
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccn(C2CCCC2)n1
InChIInChI=1S/C22H27N5O3/c1-29-19-12-21-23-18(15-7-10-30-11-8-15)14-26(21)13-17(19)22(28)24-20-6-9-27(25-20)16-4-2-3-5-16/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,24,25,28)
InChIKeyKOKYITMQKQXHBK-UHFFFAOYSA-N
XLogP3.80
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide (CID 155437383) is N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is COc1cc2nc(C3CCOCC3)cn2cc1C(=O)Nc1ccn(C2CCCC2)n1.
What is the InChIKey of N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KOKYITMQKQXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-29-19-12-21-23-18(15-7-10-30-11-8-15)14-26(21)13-17(19)22(28)24-20-6-9-27(25-20)16-4-2-3-5-16/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,24,25,28).
What are the key properties of N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide?
N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpyrazol-3-yl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155437383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).