N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C30H35N7O2 — CID 121431817

IUPACN-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cc(N4CCC(N5CCC[C@@H](O)C5)CC4)cnc3c2-c2ccc(C)cn2)ccn1
InChIInChI=1S/C30H35N7O2/c1-19-5-6-25(32-16-19)28-29(21-7-10-31-27(14-21)34-20(2)38)35-26-15-23(17-33-30(26)28)36-12-8-22(9-13-36)37-11-3-4-24(39)18-37/h5-7,10,14-17,22,24,35,39H,3-4,8-9,11-13,18H2,1-2H3,(H,31,34,38)/t24-/m1/s1
InChIKeyUWWSGGVMOSDQHB-XMMPIXPASA-N
MW525.66 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121431817) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121431817
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC NameN-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cc(N4CCC(N5CCC[C@@H](O)C5)CC4)cnc3c2-c2ccc(C)cn2)ccn1
InChIInChI=1S/C30H35N7O2/c1-19-5-6-25(32-16-19)28-29(21-7-10-31-27(14-21)34-20(2)38)35-26-15-23(17-33-30(26)28)36-12-8-22(9-13-36)37-11-3-4-24(39)18-37/h5-7,10,14-17,22,24,35,39H,3-4,8-9,11-13,18H2,1-2H3,(H,31,34,38)/t24-/m1/s1
InChIKeyUWWSGGVMOSDQHB-XMMPIXPASA-N
XLogP4.38
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[6-(4-hydroxypiperidin-1-yl)-3-(5-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 145112189
N-[4-[6-(3,5-dimethyltriazol-4-yl)-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431807
N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121412018
N-[4-[3-(2-methylpyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431775
N-[4-[6-chloro-3-(5-fluoro-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 121411975
N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121412061
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992
N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411952
N-[4-(5-cyclopropyl-3-iodo-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687033
N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411877
N-[4-[2-(4-hydroxypiperidin-1-yl)-4-pyridinyl]-2-pyridinyl]-4-methylbenzamide
CID 175939108
N-[4-(3-quinolin-8-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 121411797

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121431817) is N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cc(N4CCC(N5CCC[C@@H](O)C5)CC4)cnc3c2-c2ccc(C)cn2)ccn1.
What is the InChIKey of N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is UWWSGGVMOSDQHB-XMMPIXPASA-N. The full InChI is InChI=1S/C30H35N7O2/c1-19-5-6-25(32-16-19)28-29(21-7-10-31-27(14-21)34-20(2)38)35-26-15-23(17-33-30(26)28)36-12-8-22(9-13-36)37-11-3-4-24(39)18-37/h5-7,10,14-17,22,24,35,39H,3-4,8-9,11-13,18H2,1-2H3,(H,31,34,38)/t24-/m1/s1.
What are the key properties of N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 525.66 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-3-(5-methyl-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121431817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).