(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine

C22H23N5 — CID 118664339

IUPAC(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C22H23N5/c1-3-6-18(23)20-9-5-8-19(26-20)16-11-12-17-14-24-27(21(17)13-16)22-10-4-7-15(2)25-22/h4-5,7-14,18H,3,6,23H2,1-2H3/t18-/m0/s1
InChIKeyCOBBFZNDVMUZEX-SFHVURJKSA-N
MW357.46 g/mol
LogP4.59
Rot. Bonds5

About (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine

(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine (PubChem CID 118664339) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
PubChem CID118664339
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C22H23N5/c1-3-6-18(23)20-9-5-8-19(26-20)16-11-12-17-14-24-27(21(17)13-16)22-10-4-7-15(2)25-22/h4-5,7-14,18H,3,6,23H2,1-2H3/t18-/m0/s1
InChIKeyCOBBFZNDVMUZEX-SFHVURJKSA-N
XLogP4.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine with MolForge

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Related Compounds

(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 130231679
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 118664726
(1S)-1-[6-[1-[4-(difluoromethyl)pyrimidin-2-yl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118670727
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
CID 118663799
[4-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118664690
N-methyl-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]methanamine
CID 154826505
1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 118663762
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
[6-[6-[6-[(1S)-1-(dimethylamino)butyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]methanol
CID 118663980

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine?
The IUPAC name of (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine (CID 118664339) is (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine.
What is the SMILES notation for (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine?
The canonical SMILES for (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine is CCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C)n4)c3c2)n1.
What is the InChIKey of (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine?
The InChIKey is COBBFZNDVMUZEX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N5/c1-3-6-18(23)20-9-5-8-19(26-20)16-11-12-17-14-24-27(21(17)13-16)22-10-4-7-15(2)25-22/h4-5,7-14,18H,3,6,23H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine?
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine has a molecular weight of 357.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine is sourced from PubChem (CID 118664339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).