[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

C23H24F2N8O — CID 66866421

IUPAC[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1
InChIInChI=1S/C23H24F2N8O/c1-31-9-3-6-19(31)23(34)32-10-7-14(8-11-32)15-12-16(21(26)27-13-15)22-28-29-30-33(22)18-5-2-4-17(24)20(18)25/h2,4-5,7,12-13,19H,3,6,8-11H2,1H3,(H2,26,27)
InChIKeyIXUJSBADFWZHCN-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.29
Rot. Bonds4

About [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 66866421) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
PubChem CID66866421
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1
InChIInChI=1S/C23H24F2N8O/c1-31-9-3-6-19(31)23(34)32-10-7-14(8-11-32)15-12-16(21(26)27-13-15)22-28-29-30-33(22)18-5-2-4-17(24)20(18)25/h2,4-5,7,12-13,19H,3,6,8-11H2,1H3,(H2,26,27)
InChIKeyIXUJSBADFWZHCN-UHFFFAOYSA-N
XLogP2.29
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (CID 66866421) is [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)N1CC=C(c2cnc(N)c(-c3nnnn3-c3cccc(F)c3F)c2)CC1.
What is the InChIKey of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is IXUJSBADFWZHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c1-31-9-3-6-19(31)23(34)32-10-7-14(8-11-32)15-12-16(21(26)27-13-15)22-28-29-30-33(22)18-5-2-4-17(24)20(18)25/h2,4-5,7,12-13,19H,3,6,8-11H2,1H3,(H2,26,27).
What are the key properties of [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 466.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 66866421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).