2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide

C13H15N5O2 — CID 126451545

IUPAC2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@@H]2CCc3cn[nH]c3C2)cn1
InChIInChI=1S/C13H15N5O2/c1-20-13-14-5-9(6-15-13)12(19)17-10-3-2-8-7-16-18-11(8)4-10/h5-7,10H,2-4H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeySXITZLDSPFONPJ-SNVBAGLBSA-N
MW273.30 g/mol
LogP0.50
Rot. Bonds3

About 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide

2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide (PubChem CID 126451545) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
PubChem CID126451545
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@@H]2CCc3cn[nH]c3C2)cn1
InChIInChI=1S/C13H15N5O2/c1-20-13-14-5-9(6-15-13)12(19)17-10-3-2-8-7-16-18-11(8)4-10/h5-7,10H,2-4H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeySXITZLDSPFONPJ-SNVBAGLBSA-N
XLogP0.50
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide (CID 126451545) is 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide is COc1ncc(C(=O)N[C@@H]2CCc3cn[nH]c3C2)cn1.
What is the InChIKey of 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide?
The InChIKey is SXITZLDSPFONPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-20-13-14-5-9(6-15-13)12(19)17-10-3-2-8-7-16-18-11(8)4-10/h5-7,10H,2-4H2,1H3,(H,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide?
2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126451545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).