6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one

C17H21N7O3 — CID 177233863

IUPAC6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one
SMILESCOc1nc(C)cc(OCCCN)c1-c1cc(Nc2cncc(=O)[nH]2)n[nH]1
InChIInChI=1S/C17H21N7O3/c1-10-6-12(27-5-3-4-18)16(17(20-10)26-2)11-7-13(24-23-11)21-14-8-19-9-15(25)22-14/h6-9H,3-5,18H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyIPFIKPYTKYHCCR-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.34
Rot. Bonds8

About 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one

6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one (PubChem CID 177233863) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one
PubChem CID177233863
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one
SMILESCOc1nc(C)cc(OCCCN)c1-c1cc(Nc2cncc(=O)[nH]2)n[nH]1
InChIInChI=1S/C17H21N7O3/c1-10-6-12(27-5-3-4-18)16(17(20-10)26-2)11-7-13(24-23-11)21-14-8-19-9-15(25)22-14/h6-9H,3-5,18H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyIPFIKPYTKYHCCR-UHFFFAOYSA-N
XLogP1.34
TPSA143.83 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one?
The IUPAC name of 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one (CID 177233863) is 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one?
The canonical SMILES for 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one is COc1nc(C)cc(OCCCN)c1-c1cc(Nc2cncc(=O)[nH]2)n[nH]1.
What is the InChIKey of 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one?
The InChIKey is IPFIKPYTKYHCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-10-6-12(27-5-3-4-18)16(17(20-10)26-2)11-7-13(24-23-11)21-14-8-19-9-15(25)22-14/h6-9H,3-5,18H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one?
6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one has a molecular weight of 371.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[4-(3-aminopropoxy)-2-methoxy-6-methyl-3-pyridinyl]-1H-pyrazol-3-yl]amino]-1H-pyrazin-2-one is sourced from PubChem (CID 177233863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).