4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide

C25H26N6O2 — CID 50995509

IUPAC4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1nc2ncccc2[nH]1)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1
InChIInChI=1S/C25H26N6O2/c32-23(18-3-1-11-26-14-18)20-10-9-19(29-20)13-16-5-7-17(8-6-16)25(33)28-15-22-30-21-4-2-12-27-24(21)31-22/h1-8,11-12,14,19-20,23,29,32H,9-10,13,15H2,(H,28,33)(H,27,30,31)/t19-,20+,23+/m0/s1
InChIKeySXGJGHGHERKCBJ-MIZPHKNDSA-N
MW442.52 g/mol
LogP2.68
Rot. Bonds7

About 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide

4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide (PubChem CID 50995509) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
PubChem CID50995509
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1nc2ncccc2[nH]1)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1
InChIInChI=1S/C25H26N6O2/c32-23(18-3-1-11-26-14-18)20-10-9-19(29-20)13-16-5-7-17(8-6-16)25(33)28-15-22-30-21-4-2-12-27-24(21)31-22/h1-8,11-12,14,19-20,23,29,32H,9-10,13,15H2,(H,28,33)(H,27,30,31)/t19-,20+,23+/m0/s1
InChIKeySXGJGHGHERKCBJ-MIZPHKNDSA-N
XLogP2.68
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide with MolForge

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Related Compounds

4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)benzamide
CID 50995146
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-indole-6-carboxamide
CID 99840834
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 99791327
(6R)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxamide
CID 70792360
(4S)-2-bromo-N-[2-bromo-4-[[(2S,5R)-5-[hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 66924606
N-[(3-fluoro-2-pyridinyl)methyl]-4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 50996053
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136535072
[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 50997467
2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
CID 99802237
4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 137147765
(3S,4S)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxamide
CID 128987078
(2R)-1-benzyl-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 124620835

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide (CID 50995509) is 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide is O=C(NCc1nc2ncccc2[nH]1)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1.
What is the InChIKey of 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
The InChIKey is SXGJGHGHERKCBJ-MIZPHKNDSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-23(18-3-1-11-26-14-18)20-10-9-19(29-20)13-16-5-7-17(8-6-16)25(33)28-15-22-30-21-4-2-12-27-24(21)31-22/h1-8,11-12,14,19-20,23,29,32H,9-10,13,15H2,(H,28,33)(H,27,30,31)/t19-,20+,23+/m0/s1.
What are the key properties of 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).