[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol

C21H18FN5O — CID 71093827

IUPAC[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(CF)cc3)nc(CO)nc2n1
InChIInChI=1S/C21H18FN5O/c1-13-3-2-10-23-19(13)17-9-8-16-20(26-18(12-28)27-21(16)25-17)24-15-6-4-14(11-22)5-7-15/h2-10,28H,11-12H2,1H3,(H,24,25,26,27)
InChIKeyXPWVJRMEZGDGKK-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.10
Rot. Bonds5

About [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol

[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 71093827) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
PubChem CID71093827
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol
SMILESCc1cccnc1-c1ccc2c(Nc3ccc(CF)cc3)nc(CO)nc2n1
InChIInChI=1S/C21H18FN5O/c1-13-3-2-10-23-19(13)17-9-8-16-20(26-18(12-28)27-21(16)25-17)24-15-6-4-14(11-22)5-7-15/h2-10,28H,11-12H2,1H3,(H,24,25,26,27)
InChIKeyXPWVJRMEZGDGKK-UHFFFAOYSA-N
XLogP4.10
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol with MolForge

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Related Compounds

2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030130
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030037
2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11237732
2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030168
2-methyl-N-[2-(2-methylpropoxymethyl)-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-yl]-1,3-benzoxazol-5-amine
CID 11487850
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
2-[(dimethylamino)methyl]-7-(3-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 22030488
N-(6-tert-butyl-3-pyridinyl)-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 22030085
N-[4-(2-methyl-1-methyliminopropan-2-yl)phenyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 142908751
7-(3-chloro-2-pyridinyl)-2-(2-methylpropoxymethyl)-N-(4-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 22030055
ethyl 4-chloro-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidine-2-carboxylate
CID 58628200
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(ethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 11168118

Frequently Asked Questions

What is the IUPAC name of [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol (CID 71093827) is [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol is Cc1cccnc1-c1ccc2c(Nc3ccc(CF)cc3)nc(CO)nc2n1.
What is the InChIKey of [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is XPWVJRMEZGDGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13-3-2-10-23-19(13)17-9-8-16-20(26-18(12-28)27-21(16)25-17)24-15-6-4-14(11-22)5-7-15/h2-10,28H,11-12H2,1H3,(H,24,25,26,27).
What are the key properties of [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol?
[4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 375.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(fluoromethyl)anilino]-7-(3-methyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 71093827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).