2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one

C55H48N8O4 — CID 161155723

IUPAC2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccn[nH]2)c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O.Cn1cc(-c2cncnc2)c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O
InChIInChI=1S/C28H24N4O2.C27H24N4O2/c1-32-16-22(20-14-30-17-31-15-20)26-24(27(32)33)23(18-6-3-2-4-7-18)25(34-26)19-8-10-21(11-9-19)28(29)12-5-13-28;1-31-16-20(21-12-15-29-30-21)25-23(26(31)32)22(17-6-3-2-4-7-17)24(33-25)18-8-10-19(11-9-18)27(28)13-5-14-27/h2-4,6-11,14-17H,5,12-13,29H2,1H3;2-4,6-12,15-16H,5,13-14,28H2,1H3,(H,29,30)
InChIKeyUPGOEWFECRXUHF-UHFFFAOYSA-N
MW885.04 g/mol
LogP10.45
Rot. Bonds8

About 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one

2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one (PubChem CID 161155723) has the molecular formula C55H48N8O4 and a molecular weight of 885.04 g/mol. Its IUPAC name is 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one
PubChem CID161155723
Molecular FormulaC55H48N8O4
Molecular Weight885.04 g/mol
Exact Mass884.38
IUPAC Name2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccn[nH]2)c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O.Cn1cc(-c2cncnc2)c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O
InChIInChI=1S/C28H24N4O2.C27H24N4O2/c1-32-16-22(20-14-30-17-31-15-20)26-24(27(32)33)23(18-6-3-2-4-7-18)25(34-26)19-8-10-21(11-9-19)28(29)12-5-13-28;1-31-16-20(21-12-15-29-30-21)25-23(26(31)32)22(17-6-3-2-4-7-17)24(33-25)18-8-10-19(11-9-18)27(28)13-5-14-27/h2-4,6-11,14-17H,5,12-13,29H2,1H3;2-4,6-12,15-16H,5,13-14,28H2,1H3,(H,29,30)
InChIKeyUPGOEWFECRXUHF-UHFFFAOYSA-N
XLogP10.45
TPSA176.78 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.04
LogP ≤ 510.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one with MolForge

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Related Compounds

6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 71073494
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831
7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
CID 51030517
7-[4-(1-aminocyclobutyl)phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 51030518
3-[4-(1-aminocyclobutyl)phenyl]-2-phenyl-8-(1H-pyrazol-4-yl)chromen-4-one;hydrochloride
CID 67067845
6-[4-(1-aminocyclobutyl)phenyl]-2-(ethylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
CID 67206556
1-[4-[7,8-dimethyl-3-phenyl-6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutan-1-amine
CID 66665212
[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid
CID 67206822
4-[3-[4-(1-aminocyclobutyl)phenyl]-4-oxo-2-phenylchromen-8-yl]piperazin-2-one
CID 51030232
5-methyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-4-oxo-3-phenylfuro[3,2-c]pyridine-7-carboxylic acid
CID 67206597
6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
CID 67207608
6-[4-(1-aminocyclobutyl)phenyl]-3-(2-methoxyethyl)-2-methylsulfanyl-5-phenylfuro[2,3-d]pyrimidin-4-one;hydrochloride
CID 71073744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one (CID 161155723) is 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one is Cn1cc(-c2ccn[nH]2)c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O.Cn1cc(-c2cncnc2)c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O.
What is the InChIKey of 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one?
The InChIKey is UPGOEWFECRXUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2.C27H24N4O2/c1-32-16-22(20-14-30-17-31-15-20)26-24(27(32)33)23(18-6-3-2-4-7-18)25(34-26)19-8-10-21(11-9-19)28(29)12-5-13-28;1-31-16-20(21-12-15-29-30-21)25-23(26(31)32)22(17-6-3-2-4-7-17)24(33-25)18-8-10-19(11-9-18)27(28)13-5-14-27/h2-4,6-11,14-17H,5,12-13,29H2,1H3;2-4,6-12,15-16H,5,13-14,28H2,1H3,(H,29,30).
What are the key properties of 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one?
2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one has a molecular weight of 885.04 g/mol, XLogP of 10.45, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 161155723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).