5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide

C22H25N9O — CID 148900718

IUPAC5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)C)c1
InChIInChI=1S/C22H25N9O/c1-13(2)21-27-28-29-31(21)20-8-6-7-19(25-20)26-22(32)18-9-17(15(5)10-23-18)16-11-24-30(12-16)14(3)4/h6-14H,1-5H3,(H,25,26,32)
InChIKeyPGSSUNFEDKCOGV-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.58
Rot. Bonds6

About 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide

5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 148900718) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID148900718
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)C)c1
InChIInChI=1S/C22H25N9O/c1-13(2)21-27-28-29-31(21)20-8-6-7-19(25-20)26-22(32)18-9-17(15(5)10-23-18)16-11-24-30(12-16)14(3)4/h6-14H,1-5H3,(H,25,26,32)
InChIKeyPGSSUNFEDKCOGV-UHFFFAOYSA-N
XLogP3.58
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 148900718) is 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C(C)C)c1.
What is the InChIKey of 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is PGSSUNFEDKCOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c1-13(2)21-27-28-29-31(21)20-8-6-7-19(25-20)26-22(32)18-9-17(15(5)10-23-18)16-11-24-30(12-16)14(3)4/h6-14H,1-5H3,(H,25,26,32).
What are the key properties of 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 148900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).