2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide

C31H28FN7OS — CID 126566066

IUPAC2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)s5)nccc4[nH]2)=NCC3)c1
InChIInChI=1S/C31H28FN7OS/c32-25-9-8-24(41-25)29-28-23(11-13-34-29)38-31(39-28)30-27-19(10-12-35-30)6-7-22(37-27)20-15-21(17-33-16-20)36-26(40)14-18-4-2-1-3-5-18/h6-9,11,13,15-18H,1-5,10,12,14H2,(H,36,40)(H,38,39)
InChIKeyISBVMLITNVWUKV-UHFFFAOYSA-N
MW565.68 g/mol
LogP6.58
Rot. Bonds6

About 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide

2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide (PubChem CID 126566066) has the molecular formula C31H28FN7OS and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide
PubChem CID126566066
Molecular FormulaC31H28FN7OS
Molecular Weight565.68 g/mol
Exact Mass565.21
IUPAC Name2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)s5)nccc4[nH]2)=NCC3)c1
InChIInChI=1S/C31H28FN7OS/c32-25-9-8-24(41-25)29-28-23(11-13-34-29)38-31(39-28)30-27-19(10-12-35-30)6-7-22(37-27)20-15-21(17-33-16-20)36-26(40)14-18-4-2-1-3-5-18/h6-9,11,13,15-18H,1-5,10,12,14H2,(H,36,40)(H,38,39)
InChIKeyISBVMLITNVWUKV-UHFFFAOYSA-N
XLogP6.58
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide (CID 126566066) is 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide is O=C(CC1CCCCC1)Nc1cncc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)s5)nccc4[nH]2)=NCC3)c1.
What is the InChIKey of 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is ISBVMLITNVWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN7OS/c32-25-9-8-24(41-25)29-28-23(11-13-34-29)38-31(39-28)30-27-19(10-12-35-30)6-7-22(37-27)20-15-21(17-33-16-20)36-26(40)14-18-4-2-1-3-5-18/h6-9,11,13,15-18H,1-5,10,12,14H2,(H,36,40)(H,38,39).
What are the key properties of 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide?
2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 565.68 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[8-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5,6-dihydro-1,7-naphthyridin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 126566066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).