(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22FN5O2 — CID 136727612

IUPAC(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1[C@H](C)NC[C@H]1CNc2c(C(N)=O)cnn2C1
InChIInChI=1S/C17H22FN5O2/c1-10(13-5-12(18)3-4-15(13)25-2)20-6-11-7-21-17-14(16(19)24)8-22-23(17)9-11/h3-5,8,10-11,20-21H,6-7,9H2,1-2H3,(H2,19,24)/t10-,11-/m0/s1
InChIKeyYZPQMZNAZYWVJW-QWRGUYRKSA-N
MW347.39 g/mol
LogP1.52
Rot. Bonds6

About (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136727612) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136727612
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1[C@H](C)NC[C@H]1CNc2c(C(N)=O)cnn2C1
InChIInChI=1S/C17H22FN5O2/c1-10(13-5-12(18)3-4-15(13)25-2)20-6-11-7-21-17-14(16(19)24)8-22-23(17)9-11/h3-5,8,10-11,20-21H,6-7,9H2,1-2H3,(H2,19,24)/t10-,11-/m0/s1
InChIKeyYZPQMZNAZYWVJW-QWRGUYRKSA-N
XLogP1.52
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
CID 98875951
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]ethanone
CID 97333618
(1S)-1-(2,4-dimethoxyphenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905494
(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
(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905493
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43728630
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316923
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136727612) is (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(F)cc1[C@H](C)NC[C@H]1CNc2c(C(N)=O)cnn2C1.
What is the InChIKey of (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YZPQMZNAZYWVJW-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-10(13-5-12(18)3-4-15(13)25-2)20-6-11-7-21-17-14(16(19)24)8-22-23(17)9-11/h3-5,8,10-11,20-21H,6-7,9H2,1-2H3,(H2,19,24)/t10-,11-/m0/s1.
What are the key properties of (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136727612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).