4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide

C29H34N6O — CID 177353790

IUPAC4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESC[C@H](c1cc2c(-c3ccc(N)cn3)ccnc2n1C)N1CCC(c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C29H34N6O/c1-19(35-15-12-21(13-16-35)20-5-7-22(8-6-20)29(36)33(2)3)27-17-25-24(11-14-31-28(25)34(27)4)26-10-9-23(30)18-32-26/h5-11,14,17-19,21H,12-13,15-16,30H2,1-4H3/t19-/m1/s1
InChIKeyQVPVNIDJEPYQRO-LJQANCHMSA-N
MW482.63 g/mol
LogP4.86
Rot. Bonds5

About 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide

4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177353790) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide
PubChem CID177353790
Molecular FormulaC29H34N6O
Molecular Weight482.63 g/mol
Exact Mass482.28
IUPAC Name4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESC[C@H](c1cc2c(-c3ccc(N)cn3)ccnc2n1C)N1CCC(c2ccc(C(=O)N(C)C)cc2)CC1
InChIInChI=1S/C29H34N6O/c1-19(35-15-12-21(13-16-35)20-5-7-22(8-6-20)29(36)33(2)3)27-17-25-24(11-14-31-28(25)34(27)4)26-10-9-23(30)18-32-26/h5-11,14,17-19,21H,12-13,15-16,30H2,1-4H3/t19-/m1/s1
InChIKeyQVPVNIDJEPYQRO-LJQANCHMSA-N
XLogP4.86
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[1-[(1S)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-3-methyl-N,N-bis(trideuteriomethyl)benzamide
CID 177354054
4-[1-[1-[4-(1H-indazol-5-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353626
4-[1-[[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-bis(trideuteriomethyl)benzamide
CID 177353580
4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353906
methyl 4-[1-[1-[4-(6-amino-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]benzoate
CID 177301314
4-[1-[(1R)-1-[4-(6-amino-2-cyano-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N,3-trimethylbenzamide
CID 177353691
4-[1-[1-[(3Z,6E)-6-(5-amino-2-pyridinyl)-2-methyl-5-methylidene-1,8-dihydrodiazocin-3-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide;ethane
CID 177354281
4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354000
4-[1-[[4-(5-amino-3-fluoro-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353861
4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353901
4-[1-[(1S)-1-[4-(5-amino-3-methyl-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-bis(trideuteriomethyl)benzamide
CID 177354313
4-[1-[[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353891

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 177353790) is 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide is C[C@H](c1cc2c(-c3ccc(N)cn3)ccnc2n1C)N1CCC(c2ccc(C(=O)N(C)C)cc2)CC1.
What is the InChIKey of 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is QVPVNIDJEPYQRO-LJQANCHMSA-N. The full InChI is InChI=1S/C29H34N6O/c1-19(35-15-12-21(13-16-35)20-5-7-22(8-6-20)29(36)33(2)3)27-17-25-24(11-14-31-28(25)34(27)4)26-10-9-23(30)18-32-26/h5-11,14,17-19,21H,12-13,15-16,30H2,1-4H3/t19-/m1/s1.
What are the key properties of 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide?
4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 482.63 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177353790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).