4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one

C26H27ClN4O2 — CID 122625253

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one
SMILESCC(C)N1CCc2cc3cc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)ccc3n2CC1
InChIInChI=1S/C26H27ClN4O2/c1-18(2)29-9-7-23-14-19-13-22(5-6-25(19)30(23)12-11-29)31-10-8-24(15-26(31)32)33-17-21-4-3-20(27)16-28-21/h3-6,8,10,13-16,18H,7,9,11-12,17H2,1-2H3
InChIKeyGETWVXLVCKQZME-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.69
Rot. Bonds5

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one (PubChem CID 122625253) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one
PubChem CID122625253
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one
SMILESCC(C)N1CCc2cc3cc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)ccc3n2CC1
InChIInChI=1S/C26H27ClN4O2/c1-18(2)29-9-7-23-14-19-13-22(5-6-25(19)30(23)12-11-29)31-10-8-24(15-26(31)32)33-17-21-4-3-20(27)16-28-21/h3-6,8,10,13-16,18H,7,9,11-12,17H2,1-2H3
InChIKeyGETWVXLVCKQZME-UHFFFAOYSA-N
XLogP4.69
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one with MolForge

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Related Compounds

1-(11-bromo-3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 122625256
4-[(5-ethyl-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one
CID 70805295
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657399
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
CID 159970322
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one
CID 69080821
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
CID 90201232
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
CID 90201231
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(oxan-2-yloxymethyl)quinolin-6-yl]pyridin-2-one
CID 69079262
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(hydroxymethyl)-3-methylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 69081815
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
CID 66872771

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one (CID 122625253) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one is CC(C)N1CCc2cc3cc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)ccc3n2CC1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one?
The InChIKey is GETWVXLVCKQZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-18(2)29-9-7-23-14-19-13-22(5-6-25(19)30(23)12-11-29)31-10-8-24(15-26(31)32)33-17-21-4-3-20(27)16-28-21/h3-6,8,10,13-16,18H,7,9,11-12,17H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one has a molecular weight of 462.98 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-(3-propan-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]indol-9-yl)pyridin-2-one is sourced from PubChem (CID 122625253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).