2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one

C19H27N5O2 — CID 110223895

IUPAC2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one
SMILESCC(C)C(N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1
InChIInChI=1S/C19H27N5O2/c1-14(2)18(20)19(26)24-11-9-23(10-12-24)17(25)5-8-22-7-4-15-3-6-21-13-16(15)22/h3-4,6-7,13-14,18H,5,8-12,20H2,1-2H3
InChIKeyOPSSXZQBQSRMGN-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one

2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one (PubChem CID 110223895) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one
PubChem CID110223895
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one
SMILESCC(C)C(N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1
InChIInChI=1S/C19H27N5O2/c1-14(2)18(20)19(26)24-11-9-23(10-12-24)17(25)5-8-22-7-4-15-3-6-21-13-16(15)22/h3-4,6-7,13-14,18H,5,8-12,20H2,1-2H3
InChIKeyOPSSXZQBQSRMGN-UHFFFAOYSA-N
XLogP1.08
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-oxo-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 171670032
1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one
CID 110223919
1-(4-aminopiperidin-1-yl)-2-pyrrolo[2,3-c]pyridin-1-ylethanone
CID 92577999
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
6-pyrrolo[2,3-c]pyridin-1-ylhexan-1-amine
CID 139389752
(2S)-2-amino-1-[(1S,5S)-3-hydroxy-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 124828307
2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 110217358
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid
CID 84818030
2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 54872163
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one (CID 110223895) is 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one is CC(C)C(N)C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1.
What is the InChIKey of 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one?
The InChIKey is OPSSXZQBQSRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(2)18(20)19(26)24-11-9-23(10-12-24)17(25)5-8-22-7-4-15-3-6-21-13-16(15)22/h3-4,6-7,13-14,18H,5,8-12,20H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one?
2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110223895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).