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

C29H29N5O2 — CID 118933301

IUPAC1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-22-17-30-26-11-4-3-10-24(22)26)19-25(27)28(32-34)29(36)31-16-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,17,30,35H,12-16,18-19H2,(H,31,36)
InChIKeyTUKKJSRANBGSJG-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.00
Rot. Bonds7

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

1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933301) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933301
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-22-17-30-26-11-4-3-10-24(22)26)19-25(27)28(32-34)29(36)31-16-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,17,30,35H,12-16,18-19H2,(H,31,36)
InChIKeyTUKKJSRANBGSJG-UHFFFAOYSA-N
XLogP4.00
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933301) is 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is TUKKJSRANBGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-15-14-34-27-12-13-33(18-22-17-30-26-11-4-3-10-24(22)26)19-25(27)28(32-34)29(36)31-16-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,17,30,35H,12-16,18-19H2,(H,31,36).
What are the key properties of 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).