[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone

C27H30ClN5O — CID 58378157

IUPAC[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone
SMILESCCN(CC)CCn1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)ccc21
InChIInChI=1S/C27H30ClN5O/c1-3-30(4-2)15-16-31-13-11-20-17-21(9-10-24(20)31)27(34)32-14-12-25-22(19-32)18-29-33(25)26-8-6-5-7-23(26)28/h5-11,13,17-18H,3-4,12,14-16,19H2,1-2H3
InChIKeyVKFSUSKVBBVKPE-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.02
Rot. Bonds7

About [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone

[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone (PubChem CID 58378157) has the molecular formula C27H30ClN5O and a molecular weight of 476.02 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone
PubChem CID58378157
Molecular FormulaC27H30ClN5O
Molecular Weight476.02 g/mol
Exact Mass475.21
IUPAC Name[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone
SMILESCCN(CC)CCn1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)ccc21
InChIInChI=1S/C27H30ClN5O/c1-3-30(4-2)15-16-31-13-11-20-17-21(9-10-24(20)31)27(34)32-14-12-25-22(19-32)18-29-33(25)26-8-6-5-7-23(26)28/h5-11,13,17-18H,3-4,12,14-16,19H2,1-2H3
InChIKeyVKFSUSKVBBVKPE-UHFFFAOYSA-N
XLogP5.02
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone (CID 58378157) is [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone is CCN(CC)CCn1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)ccc21.
What is the InChIKey of [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone?
The InChIKey is VKFSUSKVBBVKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O/c1-3-30(4-2)15-16-31-13-11-20-17-21(9-10-24(20)31)27(34)32-14-12-25-22(19-32)18-29-33(25)26-8-6-5-7-23(26)28/h5-11,13,17-18H,3-4,12,14-16,19H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone?
[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone has a molecular weight of 476.02 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-[1-[2-(diethylamino)ethyl]indol-5-yl]methanone is sourced from PubChem (CID 58378157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).