1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide

C21H20N6O2 — CID 118141161

IUPAC1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
SMILESCOc1c(C)nc(-n2ncc3c(C(N)=O)cccc32)nc1NCc1ccccc1
InChIInChI=1S/C21H20N6O2/c1-13-18(29-2)20(23-11-14-7-4-3-5-8-14)26-21(25-13)27-17-10-6-9-15(19(22)28)16(17)12-24-27/h3-10,12H,11H2,1-2H3,(H2,22,28)(H,23,25,26)
InChIKeyDACMYQNZYZXQAB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.84
Rot. Bonds6

About 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide

1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide (PubChem CID 118141161) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
PubChem CID118141161
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
SMILESCOc1c(C)nc(-n2ncc3c(C(N)=O)cccc32)nc1NCc1ccccc1
InChIInChI=1S/C21H20N6O2/c1-13-18(29-2)20(23-11-14-7-4-3-5-8-14)26-21(25-13)27-17-10-6-9-15(19(22)28)16(17)12-24-27/h3-10,12H,11H2,1-2H3,(H2,22,28)(H,23,25,26)
InChIKeyDACMYQNZYZXQAB-UHFFFAOYSA-N
XLogP2.84
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide (CID 118141161) is 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide is COc1c(C)nc(-n2ncc3c(C(N)=O)cccc32)nc1NCc1ccccc1.
What is the InChIKey of 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide?
The InChIKey is DACMYQNZYZXQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-18(29-2)20(23-11-14-7-4-3-5-8-14)26-21(25-13)27-17-10-6-9-15(19(22)28)16(17)12-24-27/h3-10,12H,11H2,1-2H3,(H2,22,28)(H,23,25,26).
What are the key properties of 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide?
1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 118141161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).