(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22FN5O2 — CID 136727618

IUPAC(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CNCCCOc1ccccc1F)C2
InChIInChI=1S/C17H22FN5O2/c18-14-4-1-2-5-15(14)25-7-3-6-20-8-12-9-21-17-13(16(19)24)10-22-23(17)11-12/h1-2,4-5,10,12,20-21H,3,6-9,11H2,(H2,19,24)/t12-/m1/s1
InChIKeyJLALDYCKCBJOEX-GFCCVEGCSA-N
MW347.39 g/mol
LogP1.22
Rot. Bonds8

About (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136727618) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136727618
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c1NC[C@@H](CNCCCOc1ccccc1F)C2
InChIInChI=1S/C17H22FN5O2/c18-14-4-1-2-5-15(14)25-7-3-6-20-8-12-9-21-17-13(16(19)24)10-22-23(17)11-12/h1-2,4-5,10,12,20-21H,3,6-9,11H2,(H2,19,24)/t12-/m1/s1
InChIKeyJLALDYCKCBJOEX-GFCCVEGCSA-N
XLogP1.22
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-[[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136727602
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
(E)-N-[3-(2-fluorophenoxy)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 39483334
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
(1S,3S,4S)-3-amino-N-[2-(2-fluorophenoxy)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155509778
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
CID 131923892

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136727618) is (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c1NC[C@@H](CNCCCOc1ccccc1F)C2.
What is the InChIKey of (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JLALDYCKCBJOEX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22FN5O2/c18-14-4-1-2-5-15(14)25-7-3-6-20-8-12-9-21-17-13(16(19)24)10-22-23(17)11-12/h1-2,4-5,10,12,20-21H,3,6-9,11H2,(H2,19,24)/t12-/m1/s1.
What are the key properties of (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[3-(2-fluorophenoxy)propylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136727618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).