2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile

C38H29F3N12 — CID 118663773

IUPAC2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile
SMILESN#CCc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.NCc1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H15F3N6.C19H14N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(4-5-12(16)10-25-28)15-8-13(24)7-14(9-23)26-15;20-7-6-17-2-1-3-19(24-17)25-18-9-13(4-5-14(18)11-23-25)15-8-16(21)12-22-10-15/h1-8,10H,9,23H2,(H2,24,26);1-5,8-12H,6,21H2
InChIKeyNAKSOLKZUGMJKH-UHFFFAOYSA-N
MW710.73 g/mol
LogP6.67
Rot. Bonds6

About 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile

2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile (PubChem CID 118663773) has the molecular formula C38H29F3N12 and a molecular weight of 710.73 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile
PubChem CID118663773
Molecular FormulaC38H29F3N12
Molecular Weight710.73 g/mol
Exact Mass710.26
IUPAC Name2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile
SMILESN#CCc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.NCc1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H15F3N6.C19H14N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(4-5-12(16)10-25-28)15-8-13(24)7-14(9-23)26-15;20-7-6-17-2-1-3-19(24-17)25-18-9-13(4-5-14(18)11-23-25)15-8-16(21)12-22-10-15/h1-8,10H,9,23H2,(H2,24,26);1-5,8-12H,6,21H2
InChIKeyNAKSOLKZUGMJKH-UHFFFAOYSA-N
XLogP6.67
TPSA189.05 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.73
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile (CID 118663773) is 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile is N#CCc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.NCc1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile?
The InChIKey is NAKSOLKZUGMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6.C19H14N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(4-5-12(16)10-25-28)15-8-13(24)7-14(9-23)26-15;20-7-6-17-2-1-3-19(24-17)25-18-9-13(4-5-14(18)11-23-25)15-8-16(21)12-22-10-15/h1-8,10H,9,23H2,(H2,24,26);1-5,8-12H,6,21H2.
What are the key properties of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile?
2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile has a molecular weight of 710.73 g/mol, XLogP of 6.67, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118663773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).