4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid

C19H21FN6O3 — CID 146209554

IUPAC4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid
SMILESNc1cnn2ccc(N3C[C@H](O)CC3c3cc(F)cnc3CCCC(=O)O)nc12
InChIInChI=1S/C19H21FN6O3/c20-11-6-13(15(22-8-11)2-1-3-18(28)29)16-7-12(27)10-25(16)17-4-5-26-19(24-17)14(21)9-23-26/h4-6,8-9,12,16,27H,1-3,7,10,21H2,(H,28,29)/t12-,16?/m1/s1
InChIKeySXOYRNGCJNKEMT-ZGTOLYCTSA-N
MW400.41 g/mol
LogP1.57
Rot. Bonds6

About 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid

4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid (PubChem CID 146209554) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid
PubChem CID146209554
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid
SMILESNc1cnn2ccc(N3C[C@H](O)CC3c3cc(F)cnc3CCCC(=O)O)nc12
InChIInChI=1S/C19H21FN6O3/c20-11-6-13(15(22-8-11)2-1-3-18(28)29)16-7-12(27)10-25(16)17-4-5-26-19(24-17)14(21)9-23-26/h4-6,8-9,12,16,27H,1-3,7,10,21H2,(H,28,29)/t12-,16?/m1/s1
InChIKeySXOYRNGCJNKEMT-ZGTOLYCTSA-N
XLogP1.57
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid with MolForge

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Related Compounds

ethyl 5-[(4R)-2-(5-fluoro-2-hydroxyphenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129068380
5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-4,4-dideuteriopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 156622117
5-[2-[2-(3-amino-3-methylbutyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 134468455
ethyl 5-[2-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]-4-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589603
N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68914782
ethyl 5-[(4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162059591
ethyl 5-[(2S)-2-[2-[2-(ethylamino)ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 153371908
5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R)-9-fluoro-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CID 158125028
5-[2-[2-[3-deuterio-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 161276739
ethyl 5-[3-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 158306054
5-[4,4-dideuterio-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 156673856
4-[5-fluoro-3-[1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-pyridinyl]-2-methylbutan-2-amine;methanethiol
CID 142338929

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid (CID 146209554) is 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid is Nc1cnn2ccc(N3C[C@H](O)CC3c3cc(F)cnc3CCCC(=O)O)nc12.
What is the InChIKey of 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid?
The InChIKey is SXOYRNGCJNKEMT-ZGTOLYCTSA-N. The full InChI is InChI=1S/C19H21FN6O3/c20-11-6-13(15(22-8-11)2-1-3-18(28)29)16-7-12(27)10-25(16)17-4-5-26-19(24-17)14(21)9-23-26/h4-6,8-9,12,16,27H,1-3,7,10,21H2,(H,28,29)/t12-,16?/m1/s1.
What are the key properties of 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid?
4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid has a molecular weight of 400.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4R)-1-(3-aminopyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypyrrolidin-2-yl]-5-fluoro-2-pyridinyl]butanoic acid is sourced from PubChem (CID 146209554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).