7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid

C19H20N6O3 — CID 175841381

IUPAC7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
SMILESCOc1ncccc1-c1cnn2ccc(N3CCN(C(=O)O)C4(CC4)C3)nc12
InChIInChI=1S/C19H20N6O3/c1-28-17-13(3-2-7-20-17)14-11-21-25-8-4-15(22-16(14)25)23-9-10-24(18(26)27)19(12-23)5-6-19/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,26,27)
InChIKeyVDUXBKMBAKQVLN-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.13
Rot. Bonds3

About 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid

7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid (PubChem CID 175841381) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid.

Molecular Properties

Compound Name7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
PubChem CID175841381
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
SMILESCOc1ncccc1-c1cnn2ccc(N3CCN(C(=O)O)C4(CC4)C3)nc12
InChIInChI=1S/C19H20N6O3/c1-28-17-13(3-2-7-20-17)14-11-21-25-8-4-15(22-16(14)25)23-9-10-24(18(26)27)19(12-23)5-6-19/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,26,27)
InChIKeyVDUXBKMBAKQVLN-UHFFFAOYSA-N
XLogP2.13
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 175841358
3-(2-methoxy-3-pyridinyl)-5-[4-(5-propan-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 166518423
propan-2-yl 4-[3-(2-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 71744766
hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 161173714
4-[3-[2-(cyclopropylmethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylic acid;hexan-2-one;2-methylpentane
CID 176941980
[4-oxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl] 4-[3-[2-(1-methoxycarbonylazetidin-3-yl)oxy-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 177112419
(5S)-1-(3,3-dimethylbutyl)-5-[[[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-2-one
CID 71744726
propan-2-yl 4-[3-(6-methoxy-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 86697443
methylcyclopropane;5-piperazin-1-yl-3-(2-propyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 176941825
tert-butyl 1-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 167436683
(4R)-4-[2-[4-[3-(2-cyclopropyloxy-5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-oxoethyl]-1-methylpyrrolidin-2-one
CID 176875103
1-[5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 170379491

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
The IUPAC name of 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid (CID 175841381) is 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid.
What is the SMILES notation for 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
The canonical SMILES for 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid is COc1ncccc1-c1cnn2ccc(N3CCN(C(=O)O)C4(CC4)C3)nc12.
What is the InChIKey of 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
The InChIKey is VDUXBKMBAKQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-28-17-13(3-2-7-20-17)14-11-21-25-8-4-15(22-16(14)25)23-9-10-24(18(26)27)19(12-23)5-6-19/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,26,27).
What are the key properties of 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?
7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid has a molecular weight of 380.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid is sourced from PubChem (CID 175841381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).