7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one

C22H19ClN6O2 — CID 170745809

IUPAC7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
SMILESC[C@H](c1ccccc1)N1CCNC(=O)c2cc(Cl)c(-n3c(=O)[nH]c4ncccc43)nc21
InChIInChI=1S/C22H19ClN6O2/c1-13(14-6-3-2-4-7-14)28-11-10-25-21(30)15-12-16(23)20(27-19(15)28)29-17-8-5-9-24-18(17)26-22(29)31/h2-9,12-13H,10-11H2,1H3,(H,25,30)(H,24,26,31)/t13-/m1/s1
InChIKeyMPICQOLWUJWSKT-CYBMUJFWSA-N
MW434.89 g/mol
LogP3.07
Rot. Bonds3

About 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one

7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one (PubChem CID 170745809) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
PubChem CID170745809
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
SMILESC[C@H](c1ccccc1)N1CCNC(=O)c2cc(Cl)c(-n3c(=O)[nH]c4ncccc43)nc21
InChIInChI=1S/C22H19ClN6O2/c1-13(14-6-3-2-4-7-14)28-11-10-25-21(30)15-12-16(23)20(27-19(15)28)29-17-8-5-9-24-18(17)26-22(29)31/h2-9,12-13H,10-11H2,1H3,(H,25,30)(H,24,26,31)/t13-/m1/s1
InChIKeyMPICQOLWUJWSKT-CYBMUJFWSA-N
XLogP3.07
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The IUPAC name of 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one (CID 170745809) is 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The canonical SMILES for 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one is C[C@H](c1ccccc1)N1CCNC(=O)c2cc(Cl)c(-n3c(=O)[nH]c4ncccc43)nc21.
What is the InChIKey of 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The InChIKey is MPICQOLWUJWSKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-13(14-6-3-2-4-7-14)28-11-10-25-21(30)15-12-16(23)20(27-19(15)28)29-17-8-5-9-24-18(17)26-22(29)31/h2-9,12-13H,10-11H2,1H3,(H,25,30)(H,24,26,31)/t13-/m1/s1.
What are the key properties of 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one has a molecular weight of 434.89 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 170745809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).