N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C25H32N6O2 — CID 55618664

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC(CC(C)C)c3nc4ccccc4[nH]3)c(C)c12
InChIInChI=1S/C25H32N6O2/c1-14(2)13-20(23-28-18-9-7-8-10-19(18)29-23)27-21(32)12-11-17-15(3)22-24(26-16(17)4)31(5)30-25(22)33-6/h7-10,14,20H,11-13H2,1-6H3,(H,27,32)(H,28,29)
InChIKeyGJSNWVSCGZMBBK-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.31
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 55618664) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID55618664
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)NC(CC(C)C)c3nc4ccccc4[nH]3)c(C)c12
InChIInChI=1S/C25H32N6O2/c1-14(2)13-20(23-28-18-9-7-8-10-19(18)29-23)27-21(32)12-11-17-15(3)22-24(26-16(17)4)31(5)30-25(22)33-6/h7-10,14,20H,11-13H2,1-6H3,(H,27,32)(H,28,29)
InChIKeyGJSNWVSCGZMBBK-UHFFFAOYSA-N
XLogP4.31
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55939785
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(2-methoxy-2-phenylethyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 60543932
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86970961
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-quinolin-5-ylpropanamide
CID 86930170
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40939197
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119607128
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 55618664) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is COc1nn(C)c2nc(C)c(CCC(=O)NC(CC(C)C)c3nc4ccccc4[nH]3)c(C)c12.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is GJSNWVSCGZMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-14(2)13-20(23-28-18-9-7-8-10-19(18)29-23)27-21(32)12-11-17-15(3)22-24(26-16(17)4)31(5)30-25(22)33-6/h7-10,14,20H,11-13H2,1-6H3,(H,27,32)(H,28,29).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 448.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 55618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).