2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one

C23H29N5O2 — CID 110217358

IUPAC2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1
InChIInChI=1S/C23H29N5O2/c1-16(2)21(24)22(29)27-13-8-23(30,9-14-27)15-28-12-7-19-20(28)4-3-18(26-19)17-5-10-25-11-6-17/h3-7,10-12,16,21,30H,8-9,13-15,24H2,1-2H3
InChIKeyZRLAKRFETFWPNR-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one

2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 110217358) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID110217358
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1
InChIInChI=1S/C23H29N5O2/c1-16(2)21(24)22(29)27-13-8-23(30,9-14-27)15-28-12-7-19-20(28)4-3-18(26-19)17-5-10-25-11-6-17/h3-7,10-12,16,21,30H,8-9,13-15,24H2,1-2H3
InChIKeyZRLAKRFETFWPNR-UHFFFAOYSA-N
XLogP2.44
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 110217357
2-amino-3-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]butan-1-one
CID 110223895
N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 110216305
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 139414925
N-[1-[4-hydroxy-4-(pyrrolo[3,2-b]pyridin-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 110216301
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(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
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 134451443
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
CID 119265449
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 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) is 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1.
What is the InChIKey of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is ZRLAKRFETFWPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(2)21(24)22(29)27-13-8-23(30,9-14-27)15-28-12-7-19-20(28)4-3-18(26-19)17-5-10-25-11-6-17/h3-7,10-12,16,21,30H,8-9,13-15,24H2,1-2H3.
What are the key properties of 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one?
2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 407.52 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-hydroxy-4-[(5-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110217358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).