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

C26H26N4O3 — CID 54755718

IUPAC1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)nc2)c2ccccc2c1O
InChIInChI=1S/C26H26N4O3/c31-23-9-4-3-8-22(23)29-26(33)21-15-18(19-6-1-2-7-20(19)25(21)32)14-17-10-11-24(27-16-17)30-13-5-12-28-30/h1-2,5-7,10-13,15-16,22-23,31-32H,3-4,8-9,14H2,(H,29,33)/t22-,23-/m0/s1
InChIKeyMULZBBMIYBGGDX-GOTSBHOMSA-N
MW442.52 g/mol
LogP3.75
Rot. Bonds5

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

1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (PubChem CID 54755718) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
PubChem CID54755718
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)nc2)c2ccccc2c1O
InChIInChI=1S/C26H26N4O3/c31-23-9-4-3-8-22(23)29-26(33)21-15-18(19-6-1-2-7-20(19)25(21)32)14-17-10-11-24(27-16-17)30-13-5-12-28-30/h1-2,5-7,10-13,15-16,22-23,31-32H,3-4,8-9,14H2,(H,29,33)/t22-,23-/m0/s1
InChIKeyMULZBBMIYBGGDX-GOTSBHOMSA-N
XLogP3.75
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (CID 54755718) is 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)nc2)c2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The InChIKey is MULZBBMIYBGGDX-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-23-9-4-3-8-22(23)29-26(33)21-15-18(19-6-1-2-7-20(19)25(21)32)14-17-10-11-24(27-16-17)30-13-5-12-28-30/h1-2,5-7,10-13,15-16,22-23,31-32H,3-4,8-9,14H2,(H,29,33)/t22-,23-/m0/s1.
What are the key properties of 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 54755718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).