7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one

C21H22N4O2 — CID 141376538

IUPAC7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one
SMILESO=C1Oc2cc(N3CCCNCC3)ccc2CC1c1cc2ccccn2n1
InChIInChI=1S/C21H22N4O2/c26-21-18(19-13-17-4-1-2-10-25(17)23-19)12-15-5-6-16(14-20(15)27-21)24-9-3-7-22-8-11-24/h1-2,4-6,10,13-14,18,22H,3,7-9,11-12H2
InChIKeyXQANFZBJJYANPJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.38
Rot. Bonds2

About 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one

7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one (PubChem CID 141376538) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one
PubChem CID141376538
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one
SMILESO=C1Oc2cc(N3CCCNCC3)ccc2CC1c1cc2ccccn2n1
InChIInChI=1S/C21H22N4O2/c26-21-18(19-13-17-4-1-2-10-25(17)23-19)12-15-5-6-16(14-20(15)27-21)24-9-3-7-22-8-11-24/h1-2,4-6,10,13-14,18,22H,3,7-9,11-12H2
InChIKeyXQANFZBJJYANPJ-UHFFFAOYSA-N
XLogP2.38
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-pyridinyl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376463
3-(4-methyl-1H-pyrazol-5-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376524
7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one
CID 141376412
3-(7-chloro-1,3-benzothiazol-2-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376612
3-(4-methyl-1,3-benzoxazol-2-yl)-7-piperazin-1-yl-3,4-dihydrochromen-2-one;hydrochloride
CID 141376481
3-(6-methoxy-2-pyridinyl)-7-[(3S)-3-methylpiperazin-1-yl]-3,4-dihydrochromen-2-one
CID 141376420
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-indolizin-2-yl-3,4-dihydrochromen-2-one
CID 141376632
3-(1,3-benzothiazol-2-yl)-6-fluoro-7-piperazin-1-yl-3,4-dihydrochromen-2-one
CID 141376638
3-(2-methyl-1,3-benzothiazol-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]-3,4-dihydrochromen-2-one
CID 141376630
piperazin-1-yl(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 71778231
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
5-(1,4-diazepan-1-yl)-2-methyl-3H-isoindol-1-one
CID 69363809

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one (CID 141376538) is 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one is O=C1Oc2cc(N3CCCNCC3)ccc2CC1c1cc2ccccn2n1.
What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one?
The InChIKey is XQANFZBJJYANPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21-18(19-13-17-4-1-2-10-25(17)23-19)12-15-5-6-16(14-20(15)27-21)24-9-3-7-22-8-11-24/h1-2,4-6,10,13-14,18,22H,3,7-9,11-12H2.
What are the key properties of 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one?
7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-yl)-3-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).