N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide

C21H19F2N7O2 — CID 153407857

IUPACN-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc1N
InChIInChI=1S/C21H19F2N7O2/c1-32-10-15(31)26-17-19(24)27-21(28-20(17)25)16-12-6-4-8-14(23)18(12)30(29-16)9-11-5-2-3-7-13(11)22/h2-8H,9-10H2,1H3,(H,26,31)(H4,24,25,27,28)
InChIKeyLIUUYZLUQGIXBK-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.57
Rot. Bonds6

About N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide

N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide (PubChem CID 153407857) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide
PubChem CID153407857
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC NameN-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc1N
InChIInChI=1S/C21H19F2N7O2/c1-32-10-15(31)26-17-19(24)27-21(28-20(17)25)16-12-6-4-8-14(23)18(12)30(29-16)9-11-5-2-3-7-13(11)22/h2-8H,9-10H2,1H3,(H,26,31)(H4,24,25,27,28)
InChIKeyLIUUYZLUQGIXBK-UHFFFAOYSA-N
XLogP2.57
TPSA133.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,5,6-triamine
CID 146746253
2-fluoroethyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 56645203
N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
CID 86274064
2-chloroethyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 66634903
[[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]amino] propanoate
CID 174450727
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
4-amino-6-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-5-carboxylic acid
CID 123321161
methyl N-[4,6-diamino-2-[7-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]pyrimidin-5-yl]-N-methylcarbamate
CID 153407860
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-(trideuterio(113C)methyl)carbamate
CID 76974688
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
methyl N-[4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
CID 66634902
ethyl 5,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 66614118

Frequently Asked Questions

What is the IUPAC name of N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide (CID 153407857) is N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide is COCC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3c(F)cccc23)nc1N.
What is the InChIKey of N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide?
The InChIKey is LIUUYZLUQGIXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-32-10-15(31)26-17-19(24)27-21(28-20(17)25)16-12-6-4-8-14(23)18(12)30(29-16)9-11-5-2-3-7-13(11)22/h2-8H,9-10H2,1H3,(H,26,31)(H4,24,25,27,28).
What are the key properties of N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide?
N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide has a molecular weight of 439.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-diamino-2-[7-fluoro-1-[(2-fluorophenyl)methyl]indazol-3-yl]pyrimidin-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 153407857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).