[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone

C24H22F3N7O — CID 56941624

IUPAC[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone
SMILESNc1ncc(-c2ccc3ncc4ncn(C5CCN(C(=O)C6CC6)CC5)c4c3n2)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7O/c25-24(26,27)16-9-14(10-30-22(16)28)17-3-4-18-20(32-17)21-19(11-29-18)31-12-34(21)15-5-7-33(8-6-15)23(35)13-1-2-13/h3-4,9-13,15H,1-2,5-8H2,(H2,28,30)
InChIKeyGLTWAPFVFCMHQE-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.22
Rot. Bonds3

About [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone

[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 56941624) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID56941624
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone
SMILESNc1ncc(-c2ccc3ncc4ncn(C5CCN(C(=O)C6CC6)CC5)c4c3n2)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7O/c25-24(26,27)16-9-14(10-30-22(16)28)17-3-4-18-20(32-17)21-19(11-29-18)31-12-34(21)15-5-7-33(8-6-15)23(35)13-1-2-13/h3-4,9-13,15H,1-2,5-8H2,(H2,28,30)
InChIKeyGLTWAPFVFCMHQE-UHFFFAOYSA-N
XLogP4.22
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone (CID 56941624) is [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone is Nc1ncc(-c2ccc3ncc4ncn(C5CCN(C(=O)C6CC6)CC5)c4c3n2)cc1C(F)(F)F.
What is the InChIKey of [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is GLTWAPFVFCMHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O/c25-24(26,27)16-9-14(10-30-22(16)28)17-3-4-18-20(32-17)21-19(11-29-18)31-12-34(21)15-5-7-33(8-6-15)23(35)13-1-2-13/h3-4,9-13,15H,1-2,5-8H2,(H2,28,30).
What are the key properties of [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone?
[4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 481.48 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 56941624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).