N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine

C25H30N6 — CID 70183038

IUPACN-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine
SMILESCc1cccc(C(CN2C=C(C3CCCN3C)C=CC2)Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C25H30N6/c1-18-6-3-8-23(27-18)24(28-21-10-11-22-20(14-21)15-26-29-22)17-31-13-4-7-19(16-31)25-9-5-12-30(25)2/h3-4,6-8,10-11,14-16,24-25,28H,5,9,12-13,17H2,1-2H3,(H,26,29)
InChIKeyBNLGTGBHSJNLGG-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.27
Rot. Bonds6

About N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine

N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine (PubChem CID 70183038) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine
PubChem CID70183038
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC NameN-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine
SMILESCc1cccc(C(CN2C=C(C3CCCN3C)C=CC2)Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C25H30N6/c1-18-6-3-8-23(27-18)24(28-21-10-11-22-20(14-21)15-26-29-22)17-31-13-4-7-19(16-31)25-9-5-12-30(25)2/h3-4,6-8,10-11,14-16,24-25,28H,5,9,12-13,17H2,1-2H3,(H,26,29)
InChIKeyBNLGTGBHSJNLGG-UHFFFAOYSA-N
XLogP4.27
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine with MolForge

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Related Compounds

N-[1-(3-bromophenyl)propyl]-1H-indazol-5-amine
CID 43782693
N-[(2R)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
CID 99785141
N-[(2S)-4-cyclopropylbutan-2-yl]-1H-indazol-5-amine
CID 99785140
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
5-(1-methylpyrrolidin-2-yl)-1-prop-1-ynyl-2H-pyridine
CID 67649270
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[1-(3-fluorophenyl)ethyl]-1H-indazol-5-amine
CID 43691008
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-(1-phenylbutan-2-yl)-1H-indazol-5-amine
CID 79007288
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine (CID 70183038) is N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine is Cc1cccc(C(CN2C=C(C3CCCN3C)C=CC2)Nc2ccc3[nH]ncc3c2)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine?
The InChIKey is BNLGTGBHSJNLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-18-6-3-8-23(27-18)24(28-21-10-11-22-20(14-21)15-26-29-22)17-31-13-4-7-19(16-31)25-9-5-12-30(25)2/h3-4,6-8,10-11,14-16,24-25,28H,5,9,12-13,17H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine?
N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine has a molecular weight of 414.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)-2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethyl]-1H-indazol-5-amine is sourced from PubChem (CID 70183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).