[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide

C23H24F2N5O3- — CID 142380933

IUPAC[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc([N-]C4CCOC4)nc3c(NCC3CC3)n2)c1F
InChIInChI=1S/C23H24F2N5O3/c1-31-16-8-17(32-2)20(25)18(19(16)24)15-7-13-10-27-23(28-14-5-6-33-11-14)30-21(13)22(29-15)26-9-12-3-4-12/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H-,26,27,28,29,30)/q-1
InChIKeyWKENSJUPDDGUSN-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.60
Rot. Bonds8

About [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide

[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide (PubChem CID 142380933) has the molecular formula C23H24F2N5O3- and a molecular weight of 456.47 g/mol. Its IUPAC name is [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide.

Molecular Properties

Compound Name[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
PubChem CID142380933
Molecular FormulaC23H24F2N5O3-
Molecular Weight456.47 g/mol
Exact Mass456.19
IUPAC Name[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc([N-]C4CCOC4)nc3c(NCC3CC3)n2)c1F
InChIInChI=1S/C23H24F2N5O3/c1-31-16-8-17(32-2)20(25)18(19(16)24)15-7-13-10-27-23(28-14-5-6-33-11-14)30-21(13)22(29-15)26-9-12-3-4-12/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H-,26,27,28,29,30)/q-1
InChIKeyWKENSJUPDDGUSN-UHFFFAOYSA-N
XLogP4.60
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(2-chloro-3-methoxyphenyl)-8-[(1-methylpyrrolidin-2-yl)methylamino]pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide
CID 142380911
6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylsulfanyl-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-8-amine
CID 139385526
8-N-(cyclopentylmethyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135181175
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxan-4-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179912
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-[(1-methylpyrazol-4-yl)methyl]-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180421
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179900
N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2,2,2-trifluoroethylamino)pyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide
CID 139385350
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2,2,2-trifluoroethyl)pyrido[3,4-d]pyrimidine-2,8-diamine;oxane
CID 142381218
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(1-methylpiperidin-4-yl)-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180256
8-N-cyclopropyl-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139396194
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2,2,2-trifluoroethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 142381219
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395868

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?
The IUPAC name of [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide (CID 142380933) is [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide.
What is the SMILES notation for [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?
The canonical SMILES for [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide is COc1cc(OC)c(F)c(-c2cc3cnc([N-]C4CCOC4)nc3c(NCC3CC3)n2)c1F.
What is the InChIKey of [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?
The InChIKey is WKENSJUPDDGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N5O3/c1-31-16-8-17(32-2)20(25)18(19(16)24)15-7-13-10-27-23(28-14-5-6-33-11-14)30-21(13)22(29-15)26-9-12-3-4-12/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H-,26,27,28,29,30)/q-1.
What are the key properties of [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide?
[8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide has a molecular weight of 456.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethylamino)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]-(oxolan-3-yl)azanide is sourced from PubChem (CID 142380933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).