5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C30H33N5O2 — CID 16678674

IUPAC5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)nc1
InChIInChI=1S/C30H33N5O2/c1-20(2)28-13-12-24(16-32-28)35(30(37)27-8-4-7-26-25(27)6-5-9-29(26)36)18-22-15-33-34(17-22)19-23-11-10-21(3)14-31-23/h5-6,9-17,20,27,36H,4,7-8,18-19H2,1-3H3
InChIKeyWAQYQBUYHNTQNE-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.51
Rot. Bonds7

About 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 16678674) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID16678674
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)nc1
InChIInChI=1S/C30H33N5O2/c1-20(2)28-13-12-24(16-32-28)35(30(37)27-8-4-7-26-25(27)6-5-9-29(26)36)18-22-15-33-34(17-22)19-23-11-10-21(3)14-31-23/h5-6,9-17,20,27,36H,4,7-8,18-19H2,1-3H3
InChIKeyWAQYQBUYHNTQNE-UHFFFAOYSA-N
XLogP5.51
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 16678674) is 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)nc1.
What is the InChIKey of 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is WAQYQBUYHNTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-20(2)28-13-12-24(16-32-28)35(30(37)27-8-4-7-26-25(27)6-5-9-29(26)36)18-22-15-33-34(17-22)19-23-11-10-21(3)14-31-23/h5-6,9-17,20,27,36H,4,7-8,18-19H2,1-3H3.
What are the key properties of 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[1-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 16678674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).