5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine

C26H25F2N7 — CID 90098739

IUPAC5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1nc(-c2ccnc(Nc3c(F)cccc3F)c2)nc2cncc(C3CC3)c12)[C@@H]1CCNC1
InChIInChI=1S/C26H25F2N7/c1-35(17-8-9-29-12-17)26-23-18(15-5-6-15)13-30-14-21(23)32-25(34-26)16-7-10-31-22(11-16)33-24-19(27)3-2-4-20(24)28/h2-4,7,10-11,13-15,17,29H,5-6,8-9,12H2,1H3,(H,31,33)/t17-/m1/s1
InChIKeyVXUNSKWKSLBAPW-QGZVFWFLSA-N
MW473.53 g/mol
LogP4.78
Rot. Bonds6

About 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine

5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 90098739) has the molecular formula C26H25F2N7 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID90098739
Molecular FormulaC26H25F2N7
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(c1nc(-c2ccnc(Nc3c(F)cccc3F)c2)nc2cncc(C3CC3)c12)[C@@H]1CCNC1
InChIInChI=1S/C26H25F2N7/c1-35(17-8-9-29-12-17)26-23-18(15-5-6-15)13-30-14-21(23)32-25(34-26)16-7-10-31-22(11-16)33-24-19(27)3-2-4-20(24)28/h2-4,7,10-11,13-15,17,29H,5-6,8-9,12H2,1H3,(H,31,33)/t17-/m1/s1
InChIKeyVXUNSKWKSLBAPW-QGZVFWFLSA-N
XLogP4.78
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098813
5-cyclobutyl-N-methyl-N-(3-methylpiperidin-4-yl)-2-[2-[(3,5,6-trifluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123756095
5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 118224984
5-cyclopropyl-N-methyl-N-piperidin-4-yl-2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-amine
CID 123961633
2-[2-(4-chloroanilino)-4-pyridinyl]-5-cyclopropyl-N-(3,3-dimethylpiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 118224977
4-[5-cyclopropyl-4-[(3R)-3-(methylsulfonylmethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]-N-(2,6-difluorophenyl)pyridin-2-amine
CID 90099814
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-(2-fluorophenyl)pyridin-2-amine
CID 86716695
5-cyclopropyl-2-[2-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-4-pyridinyl]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 155259327
4-N-[5-cyclopropyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]-1-N-methylbenzene-1,4-diamine
CID 90099985
N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-fluoropyridin-3-amine
CID 90099296
5-cyclopropyl-2-[2-[[(1Z,3E)-2,4-difluorohepta-1,3,5,6-tetraenyl]amino]-4-pyridinyl]-N-(3-methoxypiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 176531938
N-[4-[5-cyclopropyl-4-[[(3-methylpiperidin-4-yl)amino]methyl]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]-3,5-difluoropyridin-2-amine
CID 118224896

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (CID 90098739) is 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is CN(c1nc(-c2ccnc(Nc3c(F)cccc3F)c2)nc2cncc(C3CC3)c12)[C@@H]1CCNC1.
What is the InChIKey of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VXUNSKWKSLBAPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H25F2N7/c1-35(17-8-9-29-12-17)26-23-18(15-5-6-15)13-30-14-21(23)32-25(34-26)16-7-10-31-22(11-16)33-24-19(27)3-2-4-20(24)28/h2-4,7,10-11,13-15,17,29H,5-6,8-9,12H2,1H3,(H,31,33)/t17-/m1/s1.
What are the key properties of 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 473.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90098739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).