N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine

C17H19FN6 — CID 162647288

IUPACN-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(N[C@H]4CCNC[C@@H]4F)n3)cc12
InChIInChI=1S/C17H19FN6/c1-10-12-6-11(2-3-14(12)24-23-10)16-8-20-9-17(22-16)21-15-4-5-19-7-13(15)18/h2-3,6,8-9,13,15,19H,4-5,7H2,1H3,(H,21,22)(H,23,24)/t13-,15-/m0/s1
InChIKeyOYMKSVPRXKBOHO-ZFWWWQNUSA-N
MW326.38 g/mol
LogP2.44
Rot. Bonds3

About N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine

N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (PubChem CID 162647288) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
PubChem CID162647288
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cncc(N[C@H]4CCNC[C@@H]4F)n3)cc12
InChIInChI=1S/C17H19FN6/c1-10-12-6-11(2-3-14(12)24-23-10)16-8-20-9-17(22-16)21-15-4-5-19-7-13(15)18/h2-3,6,8-9,13,15,19H,4-5,7H2,1H3,(H,21,22)(H,23,24)/t13-,15-/m0/s1
InChIKeyOYMKSVPRXKBOHO-ZFWWWQNUSA-N
XLogP2.44
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine (CID 162647288) is N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The canonical SMILES for N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is Cc1[nH]nc2ccc(-c3cncc(N[C@H]4CCNC[C@@H]4F)n3)cc12.
What is the InChIKey of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
The InChIKey is OYMKSVPRXKBOHO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H19FN6/c1-10-12-6-11(2-3-14(12)24-23-10)16-8-20-9-17(22-16)21-15-4-5-19-7-13(15)18/h2-3,6,8-9,13,15,19H,4-5,7H2,1H3,(H,21,22)(H,23,24)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine?
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine has a molecular weight of 326.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 162647288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).