4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide

C23H23N9O — CID 67501192

IUPAC4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide
SMILESCc1cc(C(N)=O)ncc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21
InChIInChI=1S/C23H23N9O/c1-13(2)21-20-18(31-11-17(27-12-31)15-8-28-30(4)10-15)5-6-25-23(20)32(29-21)19-9-26-16(22(24)33)7-14(19)3/h5-13H,1-4H3,(H2,24,33)
InChIKeyNCSNAMPNYMYORG-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.93
Rot. Bonds5

About 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide

4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide (PubChem CID 67501192) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide
PubChem CID67501192
Molecular FormulaC23H23N9O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide
SMILESCc1cc(C(N)=O)ncc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21
InChIInChI=1S/C23H23N9O/c1-13(2)21-20-18(31-11-17(27-12-31)15-8-28-30(4)10-15)5-6-25-23(20)32(29-21)19-9-26-16(22(24)33)7-14(19)3/h5-13H,1-4H3,(H2,24,33)
InChIKeyNCSNAMPNYMYORG-UHFFFAOYSA-N
XLogP2.93
TPSA122.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide (CID 67501192) is 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide is Cc1cc(C(N)=O)ncc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21.
What is the InChIKey of 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide?
The InChIKey is NCSNAMPNYMYORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O/c1-13(2)21-20-18(31-11-17(27-12-31)15-8-28-30(4)10-15)5-6-25-23(20)32(29-21)19-9-26-16(22(24)33)7-14(19)3/h5-13H,1-4H3,(H2,24,33).
What are the key properties of 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide?
4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67501192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).