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

C26H25FN4O3 — CID 91826223

IUPAC1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c(F)c4ccccc34)cn2)cn1
InChIInChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
InChIKeyPQZBCCGOIMNBLV-ZEQRLZLVSA-N
MW460.51 g/mol
LogP3.24
Rot. Bonds5

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

1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (PubChem CID 91826223) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
PubChem CID91826223
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c(F)c4ccccc34)cn2)cn1
InChIInChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
InChIKeyPQZBCCGOIMNBLV-ZEQRLZLVSA-N
XLogP3.24
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (CID 91826223) is 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c(F)c4ccccc34)cn2)cn1.
What is the InChIKey of 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The InChIKey is PQZBCCGOIMNBLV-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1.
What are the key properties of 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 91826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).