1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea

C20H24FN9O2 — CID 168993822

IUPAC1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3nc(CN(C)C)nn3c2)cnc2cc(C)nn12
InChIInChI=1S/C20H24FN9O2/c1-11-6-17-22-8-15(18(12(2)32-5)30(17)26-11)24-20(31)23-13-7-14(21)19-25-16(10-28(3)4)27-29(19)9-13/h6-9,12H,10H2,1-5H3,(H2,23,24,31)/t12-/m0/s1
InChIKeyIKSAKESBCGMJLU-LBPRGKRZSA-N
MW441.47 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea

1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 168993822) has the molecular formula C20H24FN9O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID168993822
Molecular FormulaC20H24FN9O2
Molecular Weight441.47 g/mol
Exact Mass441.20
IUPAC Name1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3nc(CN(C)C)nn3c2)cnc2cc(C)nn12
InChIInChI=1S/C20H24FN9O2/c1-11-6-17-22-8-15(18(12(2)32-5)30(17)26-11)24-20(31)23-13-7-14(21)19-25-16(10-28(3)4)27-29(19)9-13/h6-9,12H,10H2,1-5H3,(H2,23,24,31)/t12-/m0/s1
InChIKeyIKSAKESBCGMJLU-LBPRGKRZSA-N
XLogP2.63
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 168993822) is 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is CO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3nc(CN(C)C)nn3c2)cnc2cc(C)nn12.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is IKSAKESBCGMJLU-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H24FN9O2/c1-11-6-17-22-8-15(18(12(2)32-5)30(17)26-11)24-20(31)23-13-7-14(21)19-25-16(10-28(3)4)27-29(19)9-13/h6-9,12H,10H2,1-5H3,(H2,23,24,31)/t12-/m0/s1.
What are the key properties of 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 441.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 168993822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).