morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone

C18H23N5O2 — CID 134076130

IUPACmorpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone
SMILESO=C(C1CN(Cc2cccnc2)Cc2ccnn2C1)N1CCOCC1
InChIInChI=1S/C18H23N5O2/c24-18(22-6-8-25-9-7-22)16-12-21(11-15-2-1-4-19-10-15)14-17-3-5-20-23(17)13-16/h1-5,10,16H,6-9,11-14H2
InChIKeyKKHMLYJEPRVNKL-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.77
Rot. Bonds3

About morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone

morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone (PubChem CID 134076130) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone
PubChem CID134076130
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Namemorpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone
SMILESO=C(C1CN(Cc2cccnc2)Cc2ccnn2C1)N1CCOCC1
InChIInChI=1S/C18H23N5O2/c24-18(22-6-8-25-9-7-22)16-12-21(11-15-2-1-4-19-10-15)14-17-3-5-20-23(17)13-16/h1-5,10,16H,6-9,11-14H2
InChIKeyKKHMLYJEPRVNKL-UHFFFAOYSA-N
XLogP0.77
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyrrolidin-1-yl-[5-(thiophen-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone
CID 118745755
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
morpholin-4-yl-[1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 134074327
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398414

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone (CID 134076130) is morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone is O=C(C1CN(Cc2cccnc2)Cc2ccnn2C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone?
The InChIKey is KKHMLYJEPRVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(22-6-8-25-9-7-22)16-12-21(11-15-2-1-4-19-10-15)14-17-3-5-20-23(17)13-16/h1-5,10,16H,6-9,11-14H2.
What are the key properties of morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone?
morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone has a molecular weight of 341.42 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(pyridin-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 134076130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).