N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine

C19H23N7O2 — CID 56968075

IUPACN-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
SMILESCOc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)n[nH]1
InChIInChI=1S/C19H23N7O2/c1-12-5-6-14(19(22-12)27-2)15-8-16(26-25-15)23-17-10-21-11-18(24-17)28-13-4-3-7-20-9-13/h5-6,8,10-11,13,20H,3-4,7,9H2,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKeyLAEFIEWPUJMANC-CYBMUJFWSA-N
MW381.44 g/mol
LogP2.45
Rot. Bonds6

About N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine

N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine (PubChem CID 56968075) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine.

Molecular Properties

Compound NameN-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
PubChem CID56968075
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
SMILESCOc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)n[nH]1
InChIInChI=1S/C19H23N7O2/c1-12-5-6-14(19(22-12)27-2)15-8-16(26-25-15)23-17-10-21-11-18(24-17)28-13-4-3-7-20-9-13/h5-6,8,10-11,13,20H,3-4,7,9H2,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKeyLAEFIEWPUJMANC-CYBMUJFWSA-N
XLogP2.45
TPSA109.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine?
The IUPAC name of N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine (CID 56968075) is N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine.
What is the SMILES notation for N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine?
The canonical SMILES for N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine is COc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)n[nH]1.
What is the InChIKey of N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine?
The InChIKey is LAEFIEWPUJMANC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12-5-6-14(19(22-12)27-2)15-8-16(26-25-15)23-17-10-21-11-18(24-17)28-13-4-3-7-20-9-13/h5-6,8,10-11,13,20H,3-4,7,9H2,1-2H3,(H2,23,24,25,26)/t13-/m1/s1.
What are the key properties of N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine?
N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine is sourced from PubChem (CID 56968075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).