6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile

C18H17N7O — CID 97476153

IUPAC6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC[C@@H]2CN(c3ncccn3)Cc3cncn3C2)nc1
InChIInChI=1S/C18H17N7O/c19-6-14-2-3-17(23-7-14)26-12-15-9-24(18-21-4-1-5-22-18)11-16-8-20-13-25(16)10-15/h1-5,7-8,13,15H,9-12H2/t15-/m1/s1
InChIKeySKRMBOVDHUTUMP-OAHLLOKOSA-N
MW347.38 g/mol
LogP1.66
Rot. Bonds4

About 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile

6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 97476153) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
PubChem CID97476153
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC[C@@H]2CN(c3ncccn3)Cc3cncn3C2)nc1
InChIInChI=1S/C18H17N7O/c19-6-14-2-3-17(23-7-14)26-12-15-9-24(18-21-4-1-5-22-18)11-16-8-20-13-25(16)10-15/h1-5,7-8,13,15H,9-12H2/t15-/m1/s1
InChIKeySKRMBOVDHUTUMP-OAHLLOKOSA-N
XLogP1.66
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[[(6R)-8-benzyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
CID 97477938
(6R)-6-[(5-cyano-2-pyridinyl)oxymethyl]-N,N-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97477248
6-[(8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 155825694
6-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)pyridine-3-carbonitrile
CID 166214209
6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)pyridine-3-carbonitrile
CID 163390436
2-methyl-4-[[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97476138
[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-2-ylmethanone
CID 97474798
(3-methyl-1,2-oxazol-5-yl)-[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97477062
(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97487643
[6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155824495
5-(pyridin-3-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131639467
2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 131653975

Frequently Asked Questions

What is the IUPAC name of 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile (CID 97476153) is 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile is N#Cc1ccc(OC[C@@H]2CN(c3ncccn3)Cc3cncn3C2)nc1.
What is the InChIKey of 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is SKRMBOVDHUTUMP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N7O/c19-6-14-2-3-17(23-7-14)26-12-15-9-24(18-21-4-1-5-22-18)11-16-8-20-13-25(16)10-15/h1-5,7-8,13,15H,9-12H2/t15-/m1/s1.
What are the key properties of 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile?
6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 347.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6S)-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 97476153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).