1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone

C20H23N5O2 — CID 28881445

IUPAC1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
SMILESCCCCc1n[nH]c2c1CN(C(=O)COc1ncnc3ccccc13)CC2
InChIInChI=1S/C20H23N5O2/c1-2-3-7-17-15-11-25(10-9-18(15)24-23-17)19(26)12-27-20-14-6-4-5-8-16(14)21-13-22-20/h4-6,8,13H,2-3,7,9-12H2,1H3,(H,23,24)
InChIKeyXMFNNHYNBMMCKJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.66
Rot. Bonds6

About 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone

1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone (PubChem CID 28881445) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
PubChem CID28881445
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
SMILESCCCCc1n[nH]c2c1CN(C(=O)COc1ncnc3ccccc13)CC2
InChIInChI=1S/C20H23N5O2/c1-2-3-7-17-15-11-25(10-9-18(15)24-23-17)19(26)12-27-20-14-6-4-5-8-16(14)21-13-22-20/h4-6,8,13H,2-3,7,9-12H2,1H3,(H,23,24)
InChIKeyXMFNNHYNBMMCKJ-UHFFFAOYSA-N
XLogP2.66
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone with MolForge

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Related Compounds

1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 39834425
N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91777997
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-quinazolin-4-yloxyethanone
CID 91765869
[5-(2-phenoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] hypoiodite
CID 145116781
1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one
CID 166319079
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 70722433
1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 51500861
1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-pyrimidin-4-yloxyethanone
CID 121442732
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 39781741

Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone (CID 28881445) is 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone is CCCCc1n[nH]c2c1CN(C(=O)COc1ncnc3ccccc13)CC2.
What is the InChIKey of 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone?
The InChIKey is XMFNNHYNBMMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-3-7-17-15-11-25(10-9-18(15)24-23-17)19(26)12-27-20-14-6-4-5-8-16(14)21-13-22-20/h4-6,8,13H,2-3,7,9-12H2,1H3,(H,23,24).
What are the key properties of 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone?
1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone has a molecular weight of 365.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 28881445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).