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

C25H30N4O2 — CID 11538982

IUPAC(1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCn1cc(CN(C(=O)[C@H]2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1
InChIInChI=1S/C25H30N4O2/c1-4-28-15-18(13-27-28)16-29(19-11-12-23(17(2)3)26-14-19)25(31)22-9-5-8-21-20(22)7-6-10-24(21)30/h6-7,10-15,17,22,30H,4-5,8-9,16H2,1-3H3/t22-/m0/s1
InChIKeyDZSUKNKXAFKLFI-QFIPXVFZSA-N
MW418.54 g/mol
LogP4.78
Rot. Bonds6

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

(1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 11538982) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID11538982
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCn1cc(CN(C(=O)[C@H]2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1
InChIInChI=1S/C25H30N4O2/c1-4-28-15-18(13-27-28)16-29(19-11-12-23(17(2)3)26-14-19)25(31)22-9-5-8-21-20(22)7-6-10-24(21)30/h6-7,10-15,17,22,30H,4-5,8-9,16H2,1-3H3/t22-/m0/s1
InChIKeyDZSUKNKXAFKLFI-QFIPXVFZSA-N
XLogP4.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597274
N-[(1-butylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 67183520
N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597315
5-hydroxy-N-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 142693892
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
5-hydroxy-N-[[1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;methane
CID 161413944
5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 16678566
8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 16678780
N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59191190
5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597215
N-[[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597223
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 67183631

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 11538982) is (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCn1cc(CN(C(=O)[C@H]2CCCc3c(O)cccc32)c2ccc(C(C)C)nc2)cn1.
What is the InChIKey of (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is DZSUKNKXAFKLFI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-28-15-18(13-27-28)16-29(19-11-12-23(17(2)3)26-14-19)25(31)22-9-5-8-21-20(22)7-6-10-24(21)30/h6-7,10-15,17,22,30H,4-5,8-9,16H2,1-3H3/t22-/m0/s1.
What are the key properties of (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-ethylpyrazol-4-yl)methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 11538982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).