4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C24H26F2N8 — CID 151900875

IUPAC4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccnn2C)nc1C1=NC2=CC(Cc3cc(C(F)F)ccn3)[C@H](C)CN2C1
InChIInChI=1S/C24H26F2N8/c1-14-11-28-24(31-20-5-7-29-33(20)3)32-22(14)19-13-34-12-15(2)17(10-21(34)30-19)9-18-8-16(23(25)26)4-6-27-18/h4-8,10-11,15,17,23H,9,12-13H2,1-3H3,(H,28,31,32)/t15-,17?/m1/s1
InChIKeySSSVVIJPVKTNQL-LDCVWXEPSA-N
MW464.52 g/mol
LogP4.05
Rot. Bonds6

About 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 151900875) has the molecular formula C24H26F2N8 and a molecular weight of 464.52 g/mol. Its IUPAC name is 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID151900875
Molecular FormulaC24H26F2N8
Molecular Weight464.52 g/mol
Exact Mass464.22
IUPAC Name4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccnn2C)nc1C1=NC2=CC(Cc3cc(C(F)F)ccn3)[C@H](C)CN2C1
InChIInChI=1S/C24H26F2N8/c1-14-11-28-24(31-20-5-7-29-33(20)3)32-22(14)19-13-34-12-15(2)17(10-21(34)30-19)9-18-8-16(23(25)26)4-6-27-18/h4-8,10-11,15,17,23H,9,12-13H2,1-3H3,(H,28,31,32)/t15-,17?/m1/s1
InChIKeySSSVVIJPVKTNQL-LDCVWXEPSA-N
XLogP4.05
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 151900875) is 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is Cc1cnc(Nc2ccnn2C)nc1C1=NC2=CC(Cc3cc(C(F)F)ccn3)[C@H](C)CN2C1.
What is the InChIKey of 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is SSSVVIJPVKTNQL-LDCVWXEPSA-N. The full InChI is InChI=1S/C24H26F2N8/c1-14-11-28-24(31-20-5-7-29-33(20)3)32-22(14)19-13-34-12-15(2)17(10-21(34)30-19)9-18-8-16(23(25)26)4-6-27-18/h4-8,10-11,15,17,23H,9,12-13H2,1-3H3,(H,28,31,32)/t15-,17?/m1/s1.
What are the key properties of 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 464.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-7-[[4-(difluoromethyl)-2-pyridinyl]methyl]-6-methyl-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 151900875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).