[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone

C23H24N10O — CID 148536628

IUPAC[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(CC2=NNNN2)nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
InChIInChI=1S/C23H24N10O/c34-22(20-6-5-17(27-28-20)11-21-29-31-32-30-21)33-8-7-19-16(13-33)12-24-23(26-19)25-18-9-14-3-1-2-4-15(14)10-18/h1-6,12,18,31-32H,7-11,13H2,(H,29,30)(H,24,25,26)
InChIKeyMRISPKLJDMFPQD-UHFFFAOYSA-N
MW456.51 g/mol
LogP0.51
Rot. Bonds5

About [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone

[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone (PubChem CID 148536628) has the molecular formula C23H24N10O and a molecular weight of 456.51 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone
PubChem CID148536628
Molecular FormulaC23H24N10O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Name[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(CC2=NNNN2)nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
InChIInChI=1S/C23H24N10O/c34-22(20-6-5-17(27-28-20)11-21-29-31-32-30-21)33-8-7-19-16(13-33)12-24-23(26-19)25-18-9-14-3-1-2-4-15(14)10-18/h1-6,12,18,31-32H,7-11,13H2,(H,29,30)(H,24,25,26)
InChIKeyMRISPKLJDMFPQD-UHFFFAOYSA-N
XLogP0.51
TPSA132.35 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone with MolForge

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Related Compounds

[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2-trimethylsilylethynyl)-2-pyridinyl]methanone
CID 123420392
N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 90281607
tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethyl]carbamate
CID 86726553
5-bromopentanoic acid;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-imidazol-1-ylpentan-1-one;bis(5-imidazol-1-ylpentanoic acid);methane
CID 160514785
1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2,3-dihydro-1H-triazol-4-yl)ethoxy]propan-1-one
CID 166878676
1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]butan-1-one
CID 175206336
[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121834
tert-butyl N-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-oxoethyl]-N-[2-(2H-triazol-4-yl)ethylamino]carbamate
CID 151503387
N-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine-5-carboxamide
CID 171108061
pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 118970903
tert-butyl 2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 45106267
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109191980

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone (CID 148536628) is [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone is O=C(c1ccc(CC2=NNNN2)nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone?
The InChIKey is MRISPKLJDMFPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10O/c34-22(20-6-5-17(27-28-20)11-21-29-31-32-30-21)33-8-7-19-16(13-33)12-24-23(26-19)25-18-9-14-3-1-2-4-15(14)10-18/h1-6,12,18,31-32H,7-11,13H2,(H,29,30)(H,24,25,26).
What are the key properties of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone?
[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone has a molecular weight of 456.51 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[6-(2,3-dihydro-1H-tetrazol-5-ylmethyl)pyridazin-3-yl]methanone is sourced from PubChem (CID 148536628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).