N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C24H23F2N7O2 — CID 157390180

IUPACN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1
InChIInChI=1S/C24H23F2N7O2/c1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26/h4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyDSRNHKOSNGNWDQ-UHFFFAOYSA-N
MW479.49 g/mol
LogP4.54
Rot. Bonds8

About N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 157390180) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID157390180
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC NameN-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1
InChIInChI=1S/C24H23F2N7O2/c1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26/h4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyDSRNHKOSNGNWDQ-UHFFFAOYSA-N
XLogP4.54
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 157390180) is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1.
What is the InChIKey of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is DSRNHKOSNGNWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26/h4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33).
What are the key properties of N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157390180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).