3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide

C26H24N10O — CID 137088765

IUPAC3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)nc45)nc23)cn1
InChIInChI=1S/C26H24N10O/c1-14(2)8-21(37)30-17-9-16(10-27-11-17)18-4-5-20-22(31-18)24(35-34-20)25-32-19-6-7-28-26(23(19)33-25)36-12-15(3)29-13-36/h4-7,9-14H,8H2,1-3H3,(H,30,37)(H,32,33)(H,34,35)
InChIKeyDTKGWKGJYSWAFL-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.44
Rot. Bonds6

About 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 137088765) has the molecular formula C26H24N10O and a molecular weight of 492.55 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
PubChem CID137088765
Molecular FormulaC26H24N10O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC Name3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
SMILESCc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)nc45)nc23)cn1
InChIInChI=1S/C26H24N10O/c1-14(2)8-21(37)30-17-9-16(10-27-11-17)18-4-5-20-22(31-18)24(35-34-20)25-32-19-6-7-28-26(23(19)33-25)36-12-15(3)29-13-36/h4-7,9-14H,8H2,1-3H3,(H,30,37)(H,32,33)(H,34,35)
InChIKeyDTKGWKGJYSWAFL-UHFFFAOYSA-N
XLogP4.44
TPSA142.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 137088765) is 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)nc45)nc23)cn1.
What is the InChIKey of 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?
The InChIKey is DTKGWKGJYSWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O/c1-14(2)8-21(37)30-17-9-16(10-27-11-17)18-4-5-20-22(31-18)24(35-34-20)25-32-19-6-7-28-26(23(19)33-25)36-12-15(3)29-13-36/h4-7,9-14H,8H2,1-3H3,(H,30,37)(H,32,33)(H,34,35).
What are the key properties of 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide?
3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 492.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137088765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).