2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide

C24H26FN7O2S — CID 146405501

IUPAC2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H26FN7O2S/c1-31(2)35(33,34)32-10-8-20-22(15-32)29-23(17-11-18(25)14-26-12-17)30-24(20)27-9-7-16-13-28-21-6-4-3-5-19(16)21/h3-6,11-14,28H,7-10,15H2,1-2H3,(H,27,29,30)
InChIKeyVHWQAHUOOYOJMY-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.98
Rot. Bonds7

About 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide

2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide (PubChem CID 146405501) has the molecular formula C24H26FN7O2S and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
PubChem CID146405501
Molecular FormulaC24H26FN7O2S
Molecular Weight495.58 g/mol
Exact Mass495.19
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H26FN7O2S/c1-31(2)35(33,34)32-10-8-20-22(15-32)29-23(17-11-18(25)14-26-12-17)30-24(20)27-9-7-16-13-28-21-6-4-3-5-19(16)21/h3-6,11-14,28H,7-10,15H2,1-2H3,(H,27,29,30)
InChIKeyVHWQAHUOOYOJMY-UHFFFAOYSA-N
XLogP2.98
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide (CID 146405501) is 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide is CN(C)S(=O)(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide?
The InChIKey is VHWQAHUOOYOJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2S/c1-31(2)35(33,34)32-10-8-20-22(15-32)29-23(17-11-18(25)14-26-12-17)30-24(20)27-9-7-16-13-28-21-6-4-3-5-19(16)21/h3-6,11-14,28H,7-10,15H2,1-2H3,(H,27,29,30).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide?
2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide has a molecular weight of 495.58 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-[2-(1H-indol-3-yl)ethylamino]-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide is sourced from PubChem (CID 146405501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).