8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C30H31FN4O2 — CID 59597342

IUPAC8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2cn[nH]c2)C(=O)C2CCCc3c(OCc4ccccc4)ccc(F)c32)cn1
InChIInChI=1S/C30H31FN4O2/c1-20(2)27-13-11-23(17-32-27)35(18-22-15-33-34-16-22)30(36)25-10-6-9-24-28(14-12-26(31)29(24)25)37-19-21-7-4-3-5-8-21/h3-5,7-8,11-17,20,25H,6,9-10,18-19H2,1-2H3,(H,33,34)
InChIKeyDHLPYNWNYUBSNN-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.30
Rot. Bonds8

About 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597342) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597342
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC Name8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2cn[nH]c2)C(=O)C2CCCc3c(OCc4ccccc4)ccc(F)c32)cn1
InChIInChI=1S/C30H31FN4O2/c1-20(2)27-13-11-23(17-32-27)35(18-22-15-33-34-16-22)30(36)25-10-6-9-24-28(14-12-26(31)29(24)25)37-19-21-7-4-3-5-8-21/h3-5,7-8,11-17,20,25H,6,9-10,18-19H2,1-2H3,(H,33,34)
InChIKeyDHLPYNWNYUBSNN-UHFFFAOYSA-N
XLogP6.30
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597342) is 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cn[nH]c2)C(=O)C2CCCc3c(OCc4ccccc4)ccc(F)c32)cn1.
What is the InChIKey of 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is DHLPYNWNYUBSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c1-20(2)27-13-11-23(17-32-27)35(18-22-15-33-34-16-22)30(36)25-10-6-9-24-28(14-12-26(31)29(24)25)37-19-21-7-4-3-5-8-21/h3-5,7-8,11-17,20,25H,6,9-10,18-19H2,1-2H3,(H,33,34).
What are the key properties of 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).