6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H19FN6OS — CID 175058045

IUPAC6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(OCc2ccsc2)cc(F)n1
InChIInChI=1S/C22H19FN6OS/c1-14-17-11-26-22(21-24-5-2-6-25-21)27-18(17)3-7-29(14)20-10-16(9-19(23)28-20)30-12-15-4-8-31-13-15/h2,4-6,8-11,13-14H,3,7,12H2,1H3
InChIKeyWAYOANFAKOSMPQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.23
Rot. Bonds5

About 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 175058045) has the molecular formula C22H19FN6OS and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID175058045
Molecular FormulaC22H19FN6OS
Molecular Weight434.50 g/mol
Exact Mass434.13
IUPAC Name6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(OCc2ccsc2)cc(F)n1
InChIInChI=1S/C22H19FN6OS/c1-14-17-11-26-22(21-24-5-2-6-25-21)27-18(17)3-7-29(14)20-10-16(9-19(23)28-20)30-12-15-4-8-31-13-15/h2,4-6,8-11,13-14H,3,7,12H2,1H3
InChIKeyWAYOANFAKOSMPQ-UHFFFAOYSA-N
XLogP4.23
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 175058045) is 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(OCc2ccsc2)cc(F)n1.
What is the InChIKey of 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WAYOANFAKOSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6OS/c1-14-17-11-26-22(21-24-5-2-6-25-21)27-18(17)3-7-29(14)20-10-16(9-19(23)28-20)30-12-15-4-8-31-13-15/h2,4-6,8-11,13-14H,3,7,12H2,1H3.
What are the key properties of 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 434.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-4-(thiophen-3-ylmethoxy)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 175058045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).