3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C22H23F2N9 — CID 25260335

IUPAC3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C22H23F2N9/c1-2-13-3-4-18(20(24)19(13)23)33-22(29-30-31-33)17-9-14(10-27-21(17)25)15-11-28-32(12-15)16-5-7-26-8-6-16/h3-4,9-12,16,26H,2,5-8H2,1H3,(H2,25,27)
InChIKeyDLBGNEPKLARXLG-UHFFFAOYSA-N
MW451.49 g/mol
LogP2.94
Rot. Bonds5

About 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 25260335) has the molecular formula C22H23F2N9 and a molecular weight of 451.49 g/mol. Its IUPAC name is 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID25260335
Molecular FormulaC22H23F2N9
Molecular Weight451.49 g/mol
Exact Mass451.20
IUPAC Name3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F
InChIInChI=1S/C22H23F2N9/c1-2-13-3-4-18(20(24)19(13)23)33-22(29-30-31-33)17-9-14(10-27-21(17)25)15-11-28-32(12-15)16-5-7-26-8-6-16/h3-4,9-12,16,26H,2,5-8H2,1H3,(H2,25,27)
InChIKeyDLBGNEPKLARXLG-UHFFFAOYSA-N
XLogP2.94
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 25259435
3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
CID 58179982
5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridin-2-amine
CID 58179911
1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 58179851
3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180172
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180078
3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine
CID 58179673
tert-butyl (3S)-3-[4-[6-amino-5-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67027066
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
CID 146424723
3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 46199617
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 66867963

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 25260335) is 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is CCc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1F.
What is the InChIKey of 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is DLBGNEPKLARXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N9/c1-2-13-3-4-18(20(24)19(13)23)33-22(29-30-31-33)17-9-14(10-27-21(17)25)15-11-28-32(12-15)16-5-7-26-8-6-16/h3-4,9-12,16,26H,2,5-8H2,1H3,(H2,25,27).
What are the key properties of 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 451.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 25260335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).