1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide

C21H20N8O3 — CID 166780632

IUPAC1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccn(C)n4)c3)cn2)c(=O)n1C
InChIInChI=1S/C21H20N8O3/c1-13-23-12-16(21(31)29(13)3)20(30)26-17-5-4-15(11-24-17)32-14-6-8-22-19(10-14)25-18-7-9-28(2)27-18/h4-12H,1-3H3,(H,22,25,27)(H,24,26,30)
InChIKeyTUAAJCNPSGXAMY-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.40
Rot. Bonds6

About 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide

1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide (PubChem CID 166780632) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
PubChem CID166780632
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccn(C)n4)c3)cn2)c(=O)n1C
InChIInChI=1S/C21H20N8O3/c1-13-23-12-16(21(31)29(13)3)20(30)26-17-5-4-15(11-24-17)32-14-6-8-22-19(10-14)25-18-7-9-28(2)27-18/h4-12H,1-3H3,(H,22,25,27)(H,24,26,30)
InChIKeyTUAAJCNPSGXAMY-UHFFFAOYSA-N
XLogP2.40
TPSA128.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide (CID 166780632) is 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(Oc3ccnc(Nc4ccn(C)n4)c3)cn2)c(=O)n1C.
What is the InChIKey of 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?
The InChIKey is TUAAJCNPSGXAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-13-23-12-16(21(31)29(13)3)20(30)26-17-5-4-15(11-24-17)32-14-6-8-22-19(10-14)25-18-7-9-28(2)27-18/h4-12H,1-3H3,(H,22,25,27)(H,24,26,30).
What are the key properties of 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide?
1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[5-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 166780632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).