1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol

C20H21N7O — CID 90693094

IUPAC1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
SMILESNc1cc(N2CCNC(O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C20H21N7O/c21-17-10-18(26-7-5-19(28)22-6-8-26)25-20-15(12-24-27(17)20)14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12,19,22,28H,5-8,21H2
InChIKeyXTMNQVUMRHNOQI-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.64
Rot. Bonds2

About 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol

1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol (PubChem CID 90693094) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol.

Molecular Properties

Compound Name1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
PubChem CID90693094
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol
SMILESNc1cc(N2CCNC(O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C20H21N7O/c21-17-10-18(26-7-5-19(28)22-6-8-26)25-20-15(12-24-27(17)20)14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12,19,22,28H,5-8,21H2
InChIKeyXTMNQVUMRHNOQI-UHFFFAOYSA-N
XLogP1.64
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol with MolForge

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Related Compounds

1-(7-ethenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-4-carboxylic acid
CID 91578889
4-(7-methyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)morpholine
CID 91197885
2-[1-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetic acid
CID 90723376
methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 58173554
5-[2-(1-cyclopropylsulfonylpiperidin-4-yl)ethyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46945747
1-[7-(methylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbaldehyde
CID 91516920
2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
CID 58173413
4-(7-ethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-thiazinane 1,1-dioxide
CID 91563864
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
6-bromo-5-piperidin-3-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 67494420
3-quinolin-3-yl-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidine-6,7-diamine
CID 70214137
2-[4-amino-1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]acetamide;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetamide;9-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,9-triazaspiro[4.5]decane-2,4-dione;5-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158186418

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol?
The IUPAC name of 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol (CID 90693094) is 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol.
What is the SMILES notation for 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol?
The canonical SMILES for 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol is Nc1cc(N2CCNC(O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol?
The InChIKey is XTMNQVUMRHNOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c21-17-10-18(26-7-5-19(28)22-6-8-26)25-20-15(12-24-27(17)20)14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12,19,22,28H,5-8,21H2.
What are the key properties of 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol?
1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol has a molecular weight of 375.44 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,4-diazepan-5-ol is sourced from PubChem (CID 90693094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).