6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C25H25N5O — CID 136601292

IUPAC6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(C=Cc4ccc(CN5CCCCC5)cc4)c3)cc12
InChIInChI=1S/C25H25N5O/c31-25-22-15-23(29-24(22)27-17-28-25)20-10-11-26-21(14-20)9-8-18-4-6-19(7-5-18)16-30-12-2-1-3-13-30/h4-11,14-15,17H,1-3,12-13,16H2,(H2,27,28,29,31)
InChIKeyHKDZDTPNIMICPO-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.47
Rot. Bonds5

About 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 136601292) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID136601292
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2[nH]c(-c3ccnc(C=Cc4ccc(CN5CCCCC5)cc4)c3)cc12
InChIInChI=1S/C25H25N5O/c31-25-22-15-23(29-24(22)27-17-28-25)20-10-11-26-21(14-20)9-8-18-4-6-19(7-5-18)16-30-12-2-1-3-13-30/h4-11,14-15,17H,1-3,12-13,16H2,(H2,27,28,29,31)
InChIKeyHKDZDTPNIMICPO-UHFFFAOYSA-N
XLogP4.47
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135524089
7-benzyl-2-[2-[(E)-2-phenylethenyl]-4-pyridinyl]-1H-pyrrolo[2,3-b]azepin-4-one
CID 89366693
5-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]-2H-isoquinolin-1-one
CID 71736446
2-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-7-oxo-3,6-dihydropyrrolo[3,2-f][1,7]naphthyridine-8-carbonitrile
CID 162426587
N-(1-phenylethyl)-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174456325
4-chloro-6-(piperidin-1-ylmethyl)quinoline
CID 138974871
N-[(3-chlorophenyl)methyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69182351
4-[4-(3-amino-1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyridin-2-one
CID 172570928
10-methyl-4-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-11-one
CID 162740452
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673
3-(piperidin-1-ylmethyl)-5H-phenanthridin-6-one
CID 10286231
8-(2-methylpyrazol-3-yl)-2-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]phenyl]-3,6-dihydropyrrolo[3,2-f][1,7]naphthyridin-7-one
CID 162426582

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 136601292) is 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2[nH]c(-c3ccnc(C=Cc4ccc(CN5CCCCC5)cc4)c3)cc12.
What is the InChIKey of 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is HKDZDTPNIMICPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25-22-15-23(29-24(22)27-17-28-25)20-10-11-26-21(14-20)9-8-18-4-6-19(7-5-18)16-30-12-2-1-3-13-30/h4-11,14-15,17H,1-3,12-13,16H2,(H2,27,28,29,31).
What are the key properties of 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 411.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136601292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).