8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen

C25H28N6O2 — CID 169269754

IUPAC8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen
SMILESCc1cc([C@@H](C)Nc2cccnc2C2=NNNN2)c2oc(-c3ccccc3)c(C)c(=O)c2c1.[H][H].[H][H]
InChIInChI=1S/C25H24N6O2.2H2/c1-14-12-18(16(3)27-20-10-7-11-26-21(20)25-28-30-31-29-25)24-19(13-14)22(32)15(2)23(33-24)17-8-5-4-6-9-17;;/h4-13,16,27,30-31H,1-3H3,(H,28,29);2*1H/t16-;;/m1../s1
InChIKeyPSBHLLIDAMYQPF-GGMCWBHBSA-N
MW444.54 g/mol
LogP4.41
Rot. Bonds5

About 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen

8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen (PubChem CID 169269754) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen.

Molecular Properties

Compound Name8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen
PubChem CID169269754
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen
SMILESCc1cc([C@@H](C)Nc2cccnc2C2=NNNN2)c2oc(-c3ccccc3)c(C)c(=O)c2c1.[H][H].[H][H]
InChIInChI=1S/C25H24N6O2.2H2/c1-14-12-18(16(3)27-20-10-7-11-26-21(20)25-28-30-31-29-25)24-19(13-14)22(32)15(2)23(33-24)17-8-5-4-6-9-17;;/h4-13,16,27,30-31H,1-3H3,(H,28,29);2*1H/t16-;;/m1../s1
InChIKeyPSBHLLIDAMYQPF-GGMCWBHBSA-N
XLogP4.41
TPSA103.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one
CID 169270828
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
CID 170339320
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
4-[2-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]phenyl]-1H-pyridin-2-one
CID 169268865
3,6-dimethyl-2-phenyl-8-[(1R)-1-[2-(2-trimethylsilylethynyl)anilino]ethyl]chromen-4-one
CID 169269046

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen?
The IUPAC name of 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen (CID 169269754) is 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen.
What is the SMILES notation for 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen?
The canonical SMILES for 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen is Cc1cc([C@@H](C)Nc2cccnc2C2=NNNN2)c2oc(-c3ccccc3)c(C)c(=O)c2c1.[H][H].[H][H].
What is the InChIKey of 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen?
The InChIKey is PSBHLLIDAMYQPF-GGMCWBHBSA-N. The full InChI is InChI=1S/C25H24N6O2.2H2/c1-14-12-18(16(3)27-20-10-7-11-26-21(20)25-28-30-31-29-25)24-19(13-14)22(32)15(2)23(33-24)17-8-5-4-6-9-17;;/h4-13,16,27,30-31H,1-3H3,(H,28,29);2*1H/t16-;;/m1../s1.
What are the key properties of 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen?
8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen has a molecular weight of 444.54 g/mol, XLogP of 4.41, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen is sourced from PubChem (CID 169269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).