5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide

C24H26N8O3 — CID 146225355

IUPAC5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)CO)n1
InChIInChI=1S/C24H26N8O3/c1-14-9-21(35-3)19(10-18(14)16-11-25-31(12-16)17-7-8-17)24(34)27-22-6-4-5-20(26-22)23-28-29-30-32(23)15(2)13-33/h4-6,9-12,15,17,33H,7-8,13H2,1-3H3,(H,26,27,34)
InChIKeyKWMWKDGQNSYCLV-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.06
Rot. Bonds8

About 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide

5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide (PubChem CID 146225355) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound Name5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide
PubChem CID146225355
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)CO)n1
InChIInChI=1S/C24H26N8O3/c1-14-9-21(35-3)19(10-18(14)16-11-25-31(12-16)17-7-8-17)24(34)27-22-6-4-5-20(26-22)23-28-29-30-32(23)15(2)13-33/h4-6,9-12,15,17,33H,7-8,13H2,1-3H3,(H,26,27,34)
InChIKeyKWMWKDGQNSYCLV-UHFFFAOYSA-N
XLogP3.06
TPSA132.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide?
The IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide (CID 146225355) is 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide?
The canonical SMILES for 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide is COc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)CO)n1.
What is the InChIKey of 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide?
The InChIKey is KWMWKDGQNSYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-14-9-21(35-3)19(10-18(14)16-11-25-31(12-16)17-7-8-17)24(34)27-22-6-4-5-20(26-22)23-28-29-30-32(23)15(2)13-33/h4-6,9-12,15,17,33H,7-8,13H2,1-3H3,(H,26,27,34).
What are the key properties of 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide?
5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide has a molecular weight of 474.53 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 146225355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).