N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide

C25H29N5O2 — CID 57399461

IUPACN-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C25H29N5O2/c1-29(2)10-5-11-30(17-18-6-4-7-22(12-18)32-3)25(31)24-14-20-9-8-19(13-23(20)28-24)21-15-26-27-16-21/h4,6-9,12-16,28H,5,10-11,17H2,1-3H3,(H,26,27)
InChIKeyFYKKNMQWIMTCOO-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.16
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide

N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (PubChem CID 57399461) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
PubChem CID57399461
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
SMILESCOc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1
InChIInChI=1S/C25H29N5O2/c1-29(2)10-5-11-30(17-18-6-4-7-22(12-18)32-3)25(31)24-14-20-9-8-19(13-23(20)28-24)21-15-26-27-16-21/h4,6-9,12-16,28H,5,10-11,17H2,1-3H3,(H,26,27)
InChIKeyFYKKNMQWIMTCOO-UHFFFAOYSA-N
XLogP4.16
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide (CID 57399461) is N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is COc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3[nH]2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
The InChIKey is FYKKNMQWIMTCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-29(2)10-5-11-30(17-18-6-4-7-22(12-18)32-3)25(31)24-14-20-9-8-19(13-23(20)28-24)21-15-26-27-16-21/h4,6-9,12-16,28H,5,10-11,17H2,1-3H3,(H,26,27).
What are the key properties of N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 57399461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).