3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

C23H21F2N7 — CID 58179893

IUPAC3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-n1nnnc1-c1cccc(F)c1F
InChIInChI=1S/C23H21F2N7/c24-19-5-3-4-18(21(19)25)23-28-29-30-32(23)20-12-17(13-27-22(20)26)16-8-6-15(7-9-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H2,26,27)
InChIKeyRAATXJXYOIFHAM-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.85
Rot. Bonds5

About 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine

3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (PubChem CID 58179893) has the molecular formula C23H21F2N7 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
PubChem CID58179893
Molecular FormulaC23H21F2N7
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-n1nnnc1-c1cccc(F)c1F
InChIInChI=1S/C23H21F2N7/c24-19-5-3-4-18(21(19)25)23-28-29-30-32(23)20-12-17(13-27-22(20)26)16-8-6-15(7-9-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H2,26,27)
InChIKeyRAATXJXYOIFHAM-UHFFFAOYSA-N
XLogP3.85
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]methyl]pyrrolidin-3-ol
CID 66868230
5-[4-[[4-(aminomethyl)piperazin-1-yl]methyl]phenyl]-3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridin-2-amine
CID 58180015
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-5-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 58179742
3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 58180036
3-[1-(2-chloro-3,5-difluorophenyl)tetrazol-5-yl]-5-[4-[(dimethylamino)methyl]phenyl]pyridin-2-amine
CID 58180152
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 58180024
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(3-ethoxyphenyl)pyridin-2-amine
CID 58179668
1-[[4-[6-amino-5-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 66866336
[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea
CID 174690656
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 58179891
3-[1-[2,3-difluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyridin-4-ylpyridin-2-amine
CID 46199937
5-[4-[(dimethylamino)methyl]phenyl]-3-[1-(2,3,6-trifluorophenyl)tetrazol-5-yl]pyridin-2-amine
CID 58179700

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine (CID 58179893) is 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-n1nnnc1-c1cccc(F)c1F.
What is the InChIKey of 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
The InChIKey is RAATXJXYOIFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7/c24-19-5-3-4-18(21(19)25)23-28-29-30-32(23)20-12-17(13-27-22(20)26)16-8-6-15(7-9-16)14-31-10-1-2-11-31/h3-9,12-13H,1-2,10-11,14H2,(H2,26,27).
What are the key properties of 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine?
3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine has a molecular weight of 433.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-difluorophenyl)tetrazol-1-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 58179893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).