5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine

C16H21F3N6 — CID 175564639

IUPAC5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine
SMILESCC(N)CCCn1cc2c(n1)CCN(c1ncc(C(F)(F)F)cn1)C2
InChIInChI=1S/C16H21F3N6/c1-11(20)3-2-5-25-10-12-9-24(6-4-14(12)23-25)15-21-7-13(8-22-15)16(17,18)19/h7-8,10-11H,2-6,9,20H2,1H3
InChIKeyKMYOKOXDRYOQMA-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.38
Rot. Bonds5

About 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine

5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine (PubChem CID 175564639) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine
PubChem CID175564639
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine
SMILESCC(N)CCCn1cc2c(n1)CCN(c1ncc(C(F)(F)F)cn1)C2
InChIInChI=1S/C16H21F3N6/c1-11(20)3-2-5-25-10-12-9-24(6-4-14(12)23-25)15-21-7-13(8-22-15)16(17,18)19/h7-8,10-11H,2-6,9,20H2,1H3
InChIKeyKMYOKOXDRYOQMA-UHFFFAOYSA-N
XLogP2.38
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
CID 175401746
N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine
CID 170171938
2-(2-aminopropylamino)oxy-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 174227916
tert-butyl-[1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-yl]carbamic acid
CID 175564612
(2R)-5-amino-2-methyl-1-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]pentan-1-one
CID 142826664
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303
3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-amine
CID 118528088
2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
(2S)-1-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl]methoxy]propan-2-amine
CID 171779100
4-[4-[(2S)-2-aminopropoxy]-3-fluoro-2-pyridinyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;hydrochloride
CID 167472112
6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 121183263

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine?
The IUPAC name of 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine (CID 175564639) is 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine.
What is the SMILES notation for 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine?
The canonical SMILES for 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine is CC(N)CCCn1cc2c(n1)CCN(c1ncc(C(F)(F)F)cn1)C2.
What is the InChIKey of 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine?
The InChIKey is KMYOKOXDRYOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-11(20)3-2-5-25-10-12-9-24(6-4-14(12)23-25)15-21-7-13(8-22-15)16(17,18)19/h7-8,10-11H,2-6,9,20H2,1H3.
What are the key properties of 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine?
5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine has a molecular weight of 354.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]pentan-2-amine is sourced from PubChem (CID 175564639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).