8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one

C24H17F2N5O3S — CID 127038996

IUPAC8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CC1
InChIInChI=1S/C24H17F2N5O3S/c25-15-1-6-20(18(26)11-15)35(33,34)21-10-14-12-28-24(30-22(14)31(23(21)32)17-3-4-17)29-16-2-5-19-13(9-16)7-8-27-19/h1-2,5-12,17,27H,3-4H2,(H,28,29,30)
InChIKeyKVHQDBDKAXCNBR-UHFFFAOYSA-N
MW493.50 g/mol
LogP4.46
Rot. Bonds5

About 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127038996) has the molecular formula C24H17F2N5O3S and a molecular weight of 493.50 g/mol. Its IUPAC name is 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID127038996
Molecular FormulaC24H17F2N5O3S
Molecular Weight493.50 g/mol
Exact Mass493.10
IUPAC Name8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CC1
InChIInChI=1S/C24H17F2N5O3S/c25-15-1-6-20(18(26)11-15)35(33,34)21-10-14-12-28-24(30-22(14)31(23(21)32)17-3-4-17)29-16-2-5-19-13(9-16)7-8-27-19/h1-2,5-12,17,27H,3-4H2,(H,28,29,30)
InChIKeyKVHQDBDKAXCNBR-UHFFFAOYSA-N
XLogP4.46
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 127038996) is 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KVHQDBDKAXCNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O3S/c25-15-1-6-20(18(26)11-15)35(33,34)21-10-14-12-28-24(30-22(14)31(23(21)32)17-3-4-17)29-16-2-5-19-13(9-16)7-8-27-19/h1-2,5-12,17,27H,3-4H2,(H,28,29,30).
What are the key properties of 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 493.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(2,4-difluorophenyl)sulfonyl-2-(1H-indol-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127038996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).