N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide

C19H18FN5O — CID 129104679

IUPACN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cn1
InChIInChI=1S/C19H18FN5O/c1-12-9-22-16(11-21-12)19(26)24-15-6-4-8-17-13(15)10-23-25(17)18-7-3-2-5-14(18)20/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyMQKZJODEENLOAO-OAHLLOKOSA-N
MW351.39 g/mol
LogP2.92
Rot. Bonds3

About N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 129104679) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
PubChem CID129104679
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cn1
InChIInChI=1S/C19H18FN5O/c1-12-9-22-16(11-21-12)19(26)24-15-6-4-8-17-13(15)10-23-25(17)18-7-3-2-5-14(18)20/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,24,26)/t15-/m1/s1
InChIKeyMQKZJODEENLOAO-OAHLLOKOSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide (CID 129104679) is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cn1.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is MQKZJODEENLOAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-12-9-22-16(11-21-12)19(26)24-15-6-4-8-17-13(15)10-23-25(17)18-7-3-2-5-14(18)20/h2-3,5,7,9-11,15H,4,6,8H2,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 129104679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).