N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

C25H20FN7O2 — CID 59394670

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21
InChIInChI=1S/C25H20FN7O2/c26-17-3-1-15(2-4-17)20-12-23(32-31-20)30-25(34)33-10-8-16-11-18(5-6-22(16)33)35-24-19-7-9-27-13-21(19)28-14-29-24/h1-6,8,10-12,14,27H,7,9,13H2,(H2,30,31,32,34)
InChIKeyFSILZCMQFSUVKZ-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.48
Rot. Bonds4

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (PubChem CID 59394670) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
PubChem CID59394670
Molecular FormulaC25H20FN7O2
Molecular Weight469.48 g/mol
Exact Mass469.17
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESO=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21
InChIInChI=1S/C25H20FN7O2/c26-17-3-1-15(2-4-17)20-12-23(32-31-20)30-25(34)33-10-8-16-11-18(5-6-22(16)33)35-24-19-7-9-27-13-21(19)28-14-29-24/h1-6,8,10-12,14,27H,7,9,13H2,(H2,30,31,32,34)
InChIKeyFSILZCMQFSUVKZ-UHFFFAOYSA-N
XLogP4.48
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (CID 59394670) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is O=C(Nc1cc(-c2ccc(F)cc2)[nH]n1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The InChIKey is FSILZCMQFSUVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c26-17-3-1-15(2-4-17)20-12-23(32-31-20)30-25(34)33-10-8-16-11-18(5-6-22(16)33)35-24-19-7-9-27-13-21(19)28-14-29-24/h1-6,8,10-12,14,27H,7,9,13H2,(H2,30,31,32,34).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is sourced from PubChem (CID 59394670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).