6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide

C24H27N7O2 — CID 118664163

IUPAC6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCC(N)CNC(=O)c1cc(-c2cccc([C@H](C)N)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H27N7O2/c1-14(25)11-27-24(33)18-9-16(21-7-4-6-20(30-21)15(2)26)10-22-19(18)12-28-31(22)23-8-3-5-17(13-32)29-23/h3-10,12,14-15,32H,11,13,25-26H2,1-2H3,(H,27,33)/t14?,15-/m0/s1
InChIKeyBKBICFOGXWHEAB-LOACHALJSA-N
MW445.53 g/mol
LogP2.07
Rot. Bonds7

About 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide

6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 118664163) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID118664163
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCC(N)CNC(=O)c1cc(-c2cccc([C@H](C)N)n2)cc2c1cnn2-c1cccc(CO)n1
InChIInChI=1S/C24H27N7O2/c1-14(25)11-27-24(33)18-9-16(21-7-4-6-20(30-21)15(2)26)10-22-19(18)12-28-31(22)23-8-3-5-17(13-32)29-23/h3-10,12,14-15,32H,11,13,25-26H2,1-2H3,(H,27,33)/t14?,15-/m0/s1
InChIKeyBKBICFOGXWHEAB-LOACHALJSA-N
XLogP2.07
TPSA144.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide (CID 118664163) is 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide is CC(N)CNC(=O)c1cc(-c2cccc([C@H](C)N)n2)cc2c1cnn2-c1cccc(CO)n1.
What is the InChIKey of 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is BKBICFOGXWHEAB-LOACHALJSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14(25)11-27-24(33)18-9-16(21-7-4-6-20(30-21)15(2)26)10-22-19(18)12-28-31(22)23-8-3-5-17(13-32)29-23/h3-10,12,14-15,32H,11,13,25-26H2,1-2H3,(H,27,33)/t14?,15-/m0/s1.
What are the key properties of 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide?
6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]-N-(2-aminopropyl)-1-[6-(hydroxymethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 118664163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).