3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide

C26H28N8O2 — CID 152789796

IUPAC3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCC(n4c(=O)[nH]c5cccnc54)CC3)nc2)c1
InChIInChI=1S/C26H28N8O2/c27-23(28)14-21(35)7-6-17-3-1-4-18(13-17)19-15-30-25(31-16-19)33-11-8-20(9-12-33)34-24-22(32-26(34)36)5-2-10-29-24/h1-5,10,13,15-16,20H,6-9,11-12,14H2,(H3,27,28)(H,32,36)
InChIKeySFVALNGSXFCUOW-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.85
Rot. Bonds8

About 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide

3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide (PubChem CID 152789796) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide.

Molecular Properties

Compound Name3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide
PubChem CID152789796
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCC(n4c(=O)[nH]c5cccnc54)CC3)nc2)c1
InChIInChI=1S/C26H28N8O2/c27-23(28)14-21(35)7-6-17-3-1-4-18(13-17)19-15-30-25(31-16-19)33-11-8-20(9-12-33)34-24-22(32-26(34)36)5-2-10-29-24/h1-5,10,13,15-16,20H,6-9,11-12,14H2,(H3,27,28)(H,32,36)
InChIKeySFVALNGSXFCUOW-UHFFFAOYSA-N
XLogP2.85
TPSA146.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[3-[2-(1,4-oxazepan-4-yl)pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 153085217
5-[3-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 147693887
5-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 148605981
2-[4-[5-[3-(5-amino-5-imino-3-oxopentyl)phenyl]pyrimidin-2-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 152860867
3-oxo-5-[3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]phenyl]pentanimidamide
CID 161222794
5-[3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]phenyl]-3-oxopentanimidamide
CID 147606694
3-[1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735766
ethyl 4-[[1-[5-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]pyrimidin-2-yl]piperidin-4-yl]amino]benzoate
CID 158868259
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 154772466
[3-[2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl N-(diaminomethylidene)carbamate
CID 66548687
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 136560318
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272

Frequently Asked Questions

What is the IUPAC name of 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide?
The IUPAC name of 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide (CID 152789796) is 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide.
What is the SMILES notation for 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide?
The canonical SMILES for 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide is [H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCC(n4c(=O)[nH]c5cccnc54)CC3)nc2)c1.
What is the InChIKey of 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide?
The InChIKey is SFVALNGSXFCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c27-23(28)14-21(35)7-6-17-3-1-4-18(13-17)19-15-30-25(31-16-19)33-11-8-20(9-12-33)34-24-22(32-26(34)36)5-2-10-29-24/h1-5,10,13,15-16,20H,6-9,11-12,14H2,(H3,27,28)(H,32,36).
What are the key properties of 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide?
3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide has a molecular weight of 484.56 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-[3-[2-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-5-yl]phenyl]pentanimidamide is sourced from PubChem (CID 152789796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).