(13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one

C34H45N7O3 — CID 171462823

IUPAC(13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc5nc4n3CCCCCCCCCC(=O)N[C@@H]5C)c(C)n12
InChIInChI=1S/C34H45N7O3/c1-22-27-15-14-24-18-28(40(33(24)37-27)17-10-8-6-4-5-7-9-13-30(42)36-22)32-23(2)41-29(38-32)19-25(20-31(41)44-3)34(43)39-16-11-12-26(35)21-39/h14-15,18-20,22,26H,4-13,16-17,21,35H2,1-3H3,(H,36,42)/t22-,26-/m1/s1
InChIKeyALZREPROVMOSOI-ATIYNZHBSA-N
MW599.78 g/mol
LogP5.54
Rot. Bonds3

About (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one

(13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one (PubChem CID 171462823) has the molecular formula C34H45N7O3 and a molecular weight of 599.78 g/mol. Its IUPAC name is (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one.

Molecular Properties

Compound Name(13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one
PubChem CID171462823
Molecular FormulaC34H45N7O3
Molecular Weight599.78 g/mol
Exact Mass599.36
IUPAC Name(13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc5nc4n3CCCCCCCCCC(=O)N[C@@H]5C)c(C)n12
InChIInChI=1S/C34H45N7O3/c1-22-27-15-14-24-18-28(40(33(24)37-27)17-10-8-6-4-5-7-9-13-30(42)36-22)32-23(2)41-29(38-32)19-25(20-31(41)44-3)34(43)39-16-11-12-26(35)21-39/h14-15,18-20,22,26H,4-13,16-17,21,35H2,1-3H3,(H,36,42)/t22-,26-/m1/s1
InChIKeyALZREPROVMOSOI-ATIYNZHBSA-N
XLogP5.54
TPSA119.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R,2R,4S)-7-[5-methoxy-3-methyl-2-[(11R)-11-methyl-9-oxo-1,10,19-triazatricyclo[10.5.2.015,18]nonadeca-12(19),13,15(18),16-tetraen-17-yl]imidazo[1,2-a]pyridine-7-carbonyl]-7-azabicyclo[2.2.1]heptan-2-yl]carbamate
CID 166524998
(10R)-16-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-10-methyl-6-oxa-1,9,18-triazatricyclo[9.5.2.014,17]octadeca-11(18),12,14(17),15-tetraen-8-one
CID 171462170
2-[7-(3-aminopiperidine-1-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine-6-carbaldehyde
CID 164555283
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-ethoxypyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 164555959
(2R)-15-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-2-methyl-3,8,14,20,22-pentazatetracyclo[12.5.2.15,8.017,21]docosa-1(20),5(22),6,15,17(21),18-hexaen-4-one
CID 171462779
(2R)-2-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-N-methylpropanamide
CID 167135281
(11R)-17-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-11-(trifluoromethyl)-1,10,19-triazatricyclo[10.5.2.015,18]nonadeca-12(19),13,15(18),16-tetraen-9-one
CID 166561215
N-[(1R)-1-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-N-methylbenzamide
CID 164556142
N-[2-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 164555797
(2R,5R,7S)-14-[5-[(3R)-3-aminopiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-2-methyl-9-oxa-3,13,19-triazatetracyclo[11.5.2.05,7.016,20]icosa-1(19),14,16(20),17-tetraen-4-one
CID 171462481
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-[2-[1-(cyclopropylmethyl)-6-methylpyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 164555222
(11R)-17-[5-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-1-cyclopropyl-7-methoxybenzimidazol-2-yl]-11-methyl-1,10,19-triazatricyclo[10.5.2.015,18]nonadeca-12(19),13,15(18),16-tetraen-9-one
CID 171462606

Frequently Asked Questions

What is the IUPAC name of (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one?
The IUPAC name of (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one (CID 171462823) is (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one.
What is the SMILES notation for (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one?
The canonical SMILES for (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one is COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccc5nc4n3CCCCCCCCCC(=O)N[C@@H]5C)c(C)n12.
What is the InChIKey of (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one?
The InChIKey is ALZREPROVMOSOI-ATIYNZHBSA-N. The full InChI is InChI=1S/C34H45N7O3/c1-22-27-15-14-24-18-28(40(33(24)37-27)17-10-8-6-4-5-7-9-13-30(42)36-22)32-23(2)41-29(38-32)19-25(20-31(41)44-3)34(43)39-16-11-12-26(35)21-39/h14-15,18-20,22,26H,4-13,16-17,21,35H2,1-3H3,(H,36,42)/t22-,26-/m1/s1.
What are the key properties of (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one?
(13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one has a molecular weight of 599.78 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-19-[7-[(3R)-3-aminopiperidine-1-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-13-methyl-1,12,21-triazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraen-11-one is sourced from PubChem (CID 171462823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).