N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

C25H31N5O2 — CID 146641578

IUPACN-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(OC)c2)c2c1CCC(NCCc1ccncc1)C2
InChIInChI=1S/C25H31N5O2/c1-3-15-30-23-8-7-19(27-14-11-18-9-12-26-13-10-18)17-22(23)24(29-30)25(31)28-20-5-4-6-21(16-20)32-2/h4-6,9-10,12-13,16,19,27H,3,7-8,11,14-15,17H2,1-2H3,(H,28,31)
InChIKeySEEWUMCSAVAPGJ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.64
Rot. Bonds9

About N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 146641578) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID146641578
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(OC)c2)c2c1CCC(NCCc1ccncc1)C2
InChIInChI=1S/C25H31N5O2/c1-3-15-30-23-8-7-19(27-14-11-18-9-12-26-13-10-18)17-22(23)24(29-30)25(31)28-20-5-4-6-21(16-20)32-2/h4-6,9-10,12-13,16,19,27H,3,7-8,11,14-15,17H2,1-2H3,(H,28,31)
InChIKeySEEWUMCSAVAPGJ-UHFFFAOYSA-N
XLogP3.64
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 146641578) is N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1nc(C(=O)Nc2cccc(OC)c2)c2c1CCC(NCCc1ccncc1)C2.
What is the InChIKey of N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is SEEWUMCSAVAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-15-30-23-8-7-19(27-14-11-18-9-12-26-13-10-18)17-22(23)24(29-30)25(31)28-20-5-4-6-21(16-20)32-2/h4-6,9-10,12-13,16,19,27H,3,7-8,11,14-15,17H2,1-2H3,(H,28,31).
What are the key properties of N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-propyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 146641578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).