2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine

C23H23N5 — CID 118663756

IUPAC2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
SMILESCc1cccc(-n2ncc3ccc(-c4ccc5c(n4)C(N)CCCC5)cc32)n1
InChIInChI=1S/C23H23N5/c1-15-5-4-8-22(26-15)28-21-13-17(9-10-18(21)14-25-28)20-12-11-16-6-2-3-7-19(24)23(16)27-20/h4-5,8-14,19H,2-3,6-7,24H2,1H3
InChIKeyAUUXUKLURFPTLA-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.52
Rot. Bonds2

About 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine

2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine (PubChem CID 118663756) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine.

Molecular Properties

Compound Name2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
PubChem CID118663756
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
SMILESCc1cccc(-n2ncc3ccc(-c4ccc5c(n4)C(N)CCCC5)cc32)n1
InChIInChI=1S/C23H23N5/c1-15-5-4-8-22(26-15)28-21-13-17(9-10-18(21)14-25-28)20-12-11-16-6-2-3-7-19(24)23(16)27-20/h4-5,8-14,19H,2-3,6-7,24H2,1H3
InChIKeyAUUXUKLURFPTLA-UHFFFAOYSA-N
XLogP4.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine?
The IUPAC name of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine (CID 118663756) is 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine.
What is the SMILES notation for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine?
The canonical SMILES for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine is Cc1cccc(-n2ncc3ccc(-c4ccc5c(n4)C(N)CCCC5)cc32)n1.
What is the InChIKey of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine?
The InChIKey is AUUXUKLURFPTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-15-5-4-8-22(26-15)28-21-13-17(9-10-18(21)14-25-28)20-12-11-16-6-2-3-7-19(24)23(16)27-20/h4-5,8-14,19H,2-3,6-7,24H2,1H3.
What are the key properties of 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine?
2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine has a molecular weight of 369.47 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine is sourced from PubChem (CID 118663756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).