5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine

C23H34N4 — CID 71083875

IUPAC5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
SMILESCCC(C)c1nn(C)c(C)c1-c1nc2c(C)cn(C(CC)CC)c2cc1C
InChIInChI=1S/C23H34N4/c1-9-14(4)23-20(17(7)26(8)25-23)22-15(5)12-19-21(24-22)16(6)13-27(19)18(10-2)11-3/h12-14,18H,9-11H2,1-8H3
InChIKeyWLALBMAGMYRDKY-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.24
Rot. Bonds6

About 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine

5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine (PubChem CID 71083875) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
PubChem CID71083875
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine
SMILESCCC(C)c1nn(C)c(C)c1-c1nc2c(C)cn(C(CC)CC)c2cc1C
InChIInChI=1S/C23H34N4/c1-9-14(4)23-20(17(7)26(8)25-23)22-15(5)12-19-21(24-22)16(6)13-27(19)18(10-2)11-3/h12-14,18H,9-11H2,1-8H3
InChIKeyWLALBMAGMYRDKY-UHFFFAOYSA-N
XLogP6.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-fluorobutan-2-yl)-3,6-dimethyl-5-(6-propan-2-yl-3-pyridinyl)pyrrolo[3,2-b]pyridine
CID 69449550
2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
CID 69453954
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58703019
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
CID 24788716
3-[1-(1-methoxybutan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69447678
[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69435818
5-(2,6-diethyl-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
CID 58703043
4-[5-(3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridin-5-yl)-4-methylthiophen-2-yl]oxan-4-ol
CID 24990228
5-(3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridin-5-yl)-N,6-diethyl-3-(methylideneamino)pyridin-2-amine;ethane
CID 143015258
1-butan-2-yl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58702847
[3-[3,6-dimethyl-1-[(2S)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69436817
[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69447178

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine (CID 71083875) is 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine is CCC(C)c1nn(C)c(C)c1-c1nc2c(C)cn(C(CC)CC)c2cc1C.
What is the InChIKey of 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
The InChIKey is WLALBMAGMYRDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-9-14(4)23-20(17(7)26(8)25-23)22-15(5)12-19-21(24-22)16(6)13-27(19)18(10-2)11-3/h12-14,18H,9-11H2,1-8H3.
What are the key properties of 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine?
5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine has a molecular weight of 366.55 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yl-1,5-dimethylpyrazol-4-yl)-3,6-dimethyl-1-pentan-3-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 71083875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).