1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride

C24H26ClN5O2 — CID 130338873

IUPAC1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]cc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H25N5O2.ClH/c30-24(20-14-26-29(17-20)15-18-4-2-1-3-5-18)27-21-6-7-23-22(12-21)19(13-25-23)16-28-8-10-31-11-9-28;/h1-7,12-14,17,25H,8-11,15-16H2,(H,27,30);1H
InChIKeyAQCIWYGSWWBEBR-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.92
Rot. Bonds6

About 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride

1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 130338873) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride
PubChem CID130338873
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2[nH]cc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H25N5O2.ClH/c30-24(20-14-26-29(17-20)15-18-4-2-1-3-5-18)27-21-6-7-23-22(12-21)19(13-25-23)16-28-8-10-31-11-9-28;/h1-7,12-14,17,25H,8-11,15-16H2,(H,27,30);1H
InChIKeyAQCIWYGSWWBEBR-UHFFFAOYSA-N
XLogP3.92
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride (CID 130338873) is 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2[nH]cc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is AQCIWYGSWWBEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.ClH/c30-24(20-14-26-29(17-20)15-18-4-2-1-3-5-18)27-21-6-7-23-22(12-21)19(13-25-23)16-28-8-10-31-11-9-28;/h1-7,12-14,17,25H,8-11,15-16H2,(H,27,30);1H.
What are the key properties of 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride?
1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 451.96 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 130338873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).