(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone

C18H19N5O — CID 155503122

IUPAC(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone
SMILESO=C(c1ccn2nccc2c1)N1CCc2[nH]nc(C3CC3)c2CC1
InChIInChI=1S/C18H19N5O/c24-18(13-4-10-23-14(11-13)3-7-19-23)22-8-5-15-16(6-9-22)20-21-17(15)12-1-2-12/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,20,21)
InChIKeyDJHRJSSAZIWYHK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.18
Rot. Bonds2

About (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone

(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone (PubChem CID 155503122) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone.

Molecular Properties

Compound Name(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone
PubChem CID155503122
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone
SMILESO=C(c1ccn2nccc2c1)N1CCc2[nH]nc(C3CC3)c2CC1
InChIInChI=1S/C18H19N5O/c24-18(13-4-10-23-14(11-13)3-7-19-23)22-8-5-15-16(6-9-22)20-21-17(15)12-1-2-12/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,20,21)
InChIKeyDJHRJSSAZIWYHK-UHFFFAOYSA-N
XLogP2.18
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571091
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
CID 154567827
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrazolo[1,5-a]pyridin-5-yl)methanone
CID 155498832
(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72838770
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 157013120
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 146046520
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 146044555
N-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carboxamide
CID 154566803
pyrazolo[1,5-a]pyridin-5-yl-[2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 165418573
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 39826456
1-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 146043897
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 31073625

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone?
The IUPAC name of (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone (CID 155503122) is (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone.
What is the SMILES notation for (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone?
The canonical SMILES for (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone is O=C(c1ccn2nccc2c1)N1CCc2[nH]nc(C3CC3)c2CC1.
What is the InChIKey of (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone?
The InChIKey is DJHRJSSAZIWYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(13-4-10-23-14(11-13)3-7-19-23)22-8-5-15-16(6-9-22)20-21-17(15)12-1-2-12/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,20,21).
What are the key properties of (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone?
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone is sourced from PubChem (CID 155503122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).