5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C19H22FN7O2 — CID 162353295

IUPAC5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(Nc1ccn2ncc(C(=O)O)c2n1)c1cc(F)cnc1N1CCC(CN)C1
InChIInChI=1S/C19H22FN7O2/c1-11(24-16-3-5-27-18(25-16)15(9-23-27)19(28)29)14-6-13(20)8-22-17(14)26-4-2-12(7-21)10-26/h3,5-6,8-9,11-12H,2,4,7,10,21H2,1H3,(H,24,25)(H,28,29)
InChIKeyOATFKGBVNWPZHW-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.92
Rot. Bonds6

About 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 162353295) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID162353295
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(Nc1ccn2ncc(C(=O)O)c2n1)c1cc(F)cnc1N1CCC(CN)C1
InChIInChI=1S/C19H22FN7O2/c1-11(24-16-3-5-27-18(25-16)15(9-23-27)19(28)29)14-6-13(20)8-22-17(14)26-4-2-12(7-21)10-26/h3,5-6,8-9,11-12H,2,4,7,10,21H2,1H3,(H,24,25)(H,28,29)
InChIKeyOATFKGBVNWPZHW-UHFFFAOYSA-N
XLogP1.92
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
5-[[(1R)-1-[5-fluoro-2-[(2S)-1-hydroxypropan-2-yl]sulfanylphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 153354149
5-[[(1R)-1-[5-fluoro-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-3-pyridinyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 149451971
5-[[(1R)-1-[2-(aminomethyl)-5-fluoro-2-(methoxymethyl)-3H-1-benzofuran-7-yl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 155324345
5-[[(1R)-1-[2-(aminomethyl)-4,5-difluoro-2-methyl-3H-1-benzofuran-7-yl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 155318751
5-[1-(2,5-difluorophenyl)ethylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063341
5-N-[1-[2-(2-aminoethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine;2,2,2-trifluoroacetic acid
CID 175921425
ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 151641092
propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate
CID 170680043
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
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
ethyl 5-[1-[(2S)-7-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1,4-benzodioxin-5-yl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155724477

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 162353295) is 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(Nc1ccn2ncc(C(=O)O)c2n1)c1cc(F)cnc1N1CCC(CN)C1.
What is the InChIKey of 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is OATFKGBVNWPZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-11(24-16-3-5-27-18(25-16)15(9-23-27)19(28)29)14-6-13(20)8-22-17(14)26-4-2-12(7-21)10-26/h3,5-6,8-9,11-12H,2,4,7,10,21H2,1H3,(H,24,25)(H,28,29).
What are the key properties of 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 399.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[3-(aminomethyl)pyrrolidin-1-yl]-5-fluoro-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 162353295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).