1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide

C27H27FN4O2 — CID 122668765

IUPAC1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(F)c4ccccc34)cn2)cn1
InChIInChI=1S/C27H27FN4O2/c1-32-16-19(15-30-32)23-11-10-17(14-29-23)12-18-13-22(26(28)21-7-3-2-6-20(18)21)27(34)31-24-8-4-5-9-25(24)33/h2-3,6-7,10-11,13-16,24-25,33H,4-5,8-9,12H2,1H3,(H,31,34)/t24-,25-/m0/s1
InChIKeyBWTRBPPXLSBFLR-DQEYMECFSA-N
MW458.54 g/mol
LogP4.40
Rot. Bonds5

About 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide

1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (PubChem CID 122668765) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
PubChem CID122668765
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(F)c4ccccc34)cn2)cn1
InChIInChI=1S/C27H27FN4O2/c1-32-16-19(15-30-32)23-11-10-17(14-29-23)12-18-13-22(26(28)21-7-3-2-6-20(18)21)27(34)31-24-8-4-5-9-25(24)33/h2-3,6-7,10-11,13-16,24-25,33H,4-5,8-9,12H2,1H3,(H,31,34)/t24-,25-/m0/s1
InChIKeyBWTRBPPXLSBFLR-DQEYMECFSA-N
XLogP4.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoquinazolinone 12
CID 46196414
5-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-2-[(1S,2S)-2-hydroxycyclohexyl]-1H-benzo[e]isoindol-3-one
CID 71042769
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 117937642
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrazolo[4,3-b]pyridine-3-carboxamide
CID 117937675
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663151
4,6-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indole-3-carboxamide
CID 134817226
4,6-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 145982741
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487675
4-[[4-(5-carbamoyl-3-pyridinyl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487777
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(6-methyl-2-pyridinyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487795
N-[(1R,2R)-2-hydroxycyclohexyl]-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146552409
N-[(1R,2R)-2-hydroxycyclohexyl]-4-[(4-pyridin-4-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 162475025

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (CID 122668765) is 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c(F)c4ccccc34)cn2)cn1.
What is the InChIKey of 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The InChIKey is BWTRBPPXLSBFLR-DQEYMECFSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-32-16-19(15-30-32)23-11-10-17(14-29-23)12-18-13-22(26(28)21-7-3-2-6-20(18)21)27(34)31-24-8-4-5-9-25(24)33/h2-3,6-7,10-11,13-16,24-25,33H,4-5,8-9,12H2,1H3,(H,31,34)/t24-,25-/m0/s1.
What are the key properties of 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 122668765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).