5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C31H33N5O2 — CID 155540145

IUPAC5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
InChIInChI=1S/C31H33N5O2/c1-2-35-20-24(26-12-5-6-13-28(26)35)19-34-15-14-29-27(21-34)30(33-36(29)16-17-37)31(38)32-18-23-10-7-9-22-8-3-4-11-25(22)23/h3-13,20,37H,2,14-19,21H2,1H3,(H,32,38)
InChIKeyHAHRWUWOHTVLJY-UHFFFAOYSA-N
MW507.64 g/mol
LogP4.49
Rot. Bonds8

About 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155540145) has the molecular formula C31H33N5O2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155540145
Molecular FormulaC31H33N5O2
Molecular Weight507.64 g/mol
Exact Mass507.26
IUPAC Name5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
InChIInChI=1S/C31H33N5O2/c1-2-35-20-24(26-12-5-6-13-28(26)35)19-34-15-14-29-27(21-34)30(33-36(29)16-17-37)31(38)32-18-23-10-7-9-22-8-3-4-11-25(22)23/h3-13,20,37H,2,14-19,21H2,1H3,(H,32,38)
InChIKeyHAHRWUWOHTVLJY-UHFFFAOYSA-N
XLogP4.49
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 219022
Nortopixantrone
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5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
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CID 44447887
7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-(2-methylpropyl)-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
CID 44447890
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-[1-(1,4,4a,8a-tetrahydro-naphthalen-1-yl)-1H-indol-3-yl]-pyrrole-2,5-dione
CID 10143584
3-(1-Piperazin-1-yl-1H-indazol-3-yl)-4-[1-(1,4,4a,8a-tetrahydro-naphthalen-2-yl)-1H-indol-3-yl]-pyrrole-2,5-dione
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3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-isoquinolin-4-yl-1H-indol-3-yl)-pyrrole-2,5-dione
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19-Methyl-3-(2-methylpropyl)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
CID 44453252
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
CID 66576297

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155540145) is 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21.
What is the InChIKey of 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HAHRWUWOHTVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O2/c1-2-35-20-24(26-12-5-6-13-28(26)35)19-34-15-14-29-27(21-34)30(33-36(29)16-17-37)31(38)32-18-23-10-7-9-22-8-3-4-11-25(22)23/h3-13,20,37H,2,14-19,21H2,1H3,(H,32,38).
What are the key properties of 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 507.64 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).