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

C36H35N5O3 — CID 130375338

IUPAC1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1c[nH]c3cc(OCc4ccccc4)ccc13)CC2
InChIInChI=1S/C36H35N5O3/c42-18-17-41-34-15-16-40(22-28-21-37-33-19-29(13-14-31(28)33)44-24-25-7-2-1-3-8-25)23-32(34)35(39-41)36(43)38-20-27-11-6-10-26-9-4-5-12-30(26)27/h1-14,19,21,37,42H,15-18,20,22-24H2,(H,38,43)
InChIKeySLKPGTHQFXGAKP-UHFFFAOYSA-N
MW585.71 g/mol
LogP5.58
Rot. Bonds10

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

1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375338) has the molecular formula C36H35N5O3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID130375338
Molecular FormulaC36H35N5O3
Molecular Weight585.71 g/mol
Exact Mass585.27
IUPAC Name1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1c[nH]c3cc(OCc4ccccc4)ccc13)CC2
InChIInChI=1S/C36H35N5O3/c42-18-17-41-34-15-16-40(22-28-21-37-33-19-29(13-14-31(28)33)44-24-25-7-2-1-3-8-25)23-32(34)35(39-41)36(43)38-20-27-11-6-10-26-9-4-5-12-30(26)27/h1-14,19,21,37,42H,15-18,20,22-24H2,(H,38,43)
InChIKeySLKPGTHQFXGAKP-UHFFFAOYSA-N
XLogP5.58
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375338) is 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1cccc2ccccc12)c1nn(CCO)c2c1CN(Cc1c[nH]c3cc(OCc4ccccc4)ccc13)CC2.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SLKPGTHQFXGAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5O3/c42-18-17-41-34-15-16-40(22-28-21-37-33-19-29(13-14-31(28)33)44-24-25-7-2-1-3-8-25)23-32(34)35(39-41)36(43)38-20-27-11-6-10-26-9-4-5-12-30(26)27/h1-14,19,21,37,42H,15-18,20,22-24H2,(H,38,43).
What are the key properties of 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 5.58, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 130375338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).