(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

C20H24N4O2 — CID 146046520

IUPAC(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
SMILESCOc1nc2c(cc1C(=O)N1CCc3[nH]nc(C4CC4)c3CC1)CCC2
InChIInChI=1S/C20H24N4O2/c1-26-19-15(11-13-3-2-4-16(13)21-19)20(25)24-9-7-14-17(8-10-24)22-23-18(14)12-5-6-12/h11-12H,2-10H2,1H3,(H,22,23)
InChIKeyVIWHKOOJKMPRLO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.42
Rot. Bonds3

About (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

(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 (PubChem CID 146046520) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146046520
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(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
SMILESCOc1nc2c(cc1C(=O)N1CCc3[nH]nc(C4CC4)c3CC1)CCC2
InChIInChI=1S/C20H24N4O2/c1-26-19-15(11-13-3-2-4-16(13)21-19)20(25)24-9-7-14-17(8-10-24)22-23-18(14)12-5-6-12/h11-12H,2-10H2,1H3,(H,22,23)
InChIKeyVIWHKOOJKMPRLO-UHFFFAOYSA-N
XLogP2.42
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1nc2c(cc1C(=O)N1CCc3[nH]nc(C4CC4)c3CC1)CCC2.
What is the InChIKey of (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?
The InChIKey is VIWHKOOJKMPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-19-15(11-13-3-2-4-16(13)21-19)20(25)24-9-7-14-17(8-10-24)22-23-18(14)12-5-6-12/h11-12H,2-10H2,1H3,(H,22,23).
What are the key properties of (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?
(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 has a molecular weight of 352.44 g/mol, XLogP of 2.42, 3 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)-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone is sourced from PubChem (CID 146046520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).