N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine

C22H26F3N7 — CID 24866306

IUPACN,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(N(C)C)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H26F3N7/c1-15-13-31(8-9-32(15)20-7-5-18(12-27-20)22(23,24)25)14-17-11-28-29-21(17)16-4-6-19(26-10-16)30(2)3/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,28,29)
InChIKeyBFFRVDLLMTYOQL-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.66
Rot. Bonds5

About N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine

N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine (PubChem CID 24866306) has the molecular formula C22H26F3N7 and a molecular weight of 445.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine
PubChem CID24866306
Molecular FormulaC22H26F3N7
Molecular Weight445.49 g/mol
Exact Mass445.22
IUPAC NameN,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(N(C)C)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H26F3N7/c1-15-13-31(8-9-32(15)20-7-5-18(12-27-20)22(23,24)25)14-17-11-28-29-21(17)16-4-6-19(26-10-16)30(2)3/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,28,29)
InChIKeyBFFRVDLLMTYOQL-UHFFFAOYSA-N
XLogP3.66
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine (CID 24866306) is N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine is CC1CN(Cc2cn[nH]c2-c2ccc(N(C)C)nc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine?
The InChIKey is BFFRVDLLMTYOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7/c1-15-13-31(8-9-32(15)20-7-5-18(12-27-20)22(23,24)25)14-17-11-28-29-21(17)16-4-6-19(26-10-16)30(2)3/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,28,29).
What are the key properties of N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine?
N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine has a molecular weight of 445.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 24866306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).