2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol

C27H31N9O4 — CID 121421057

IUPAC2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCO)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCO)nn2c(C)c(C)ccc12
InChIInChI=1S/C27H31N9O4/c1-14-5-7-20-22(26(39-11-9-37)33-35(20)16(14)3)30-24-18(28)13-19(29)25(32-24)31-23-21-8-6-15(2)17(4)36(21)34-27(23)40-12-10-38/h5-8,13,28,37-38H,9-12,29H2,1-4H3,(H,30,31,32)/b28-18+
InChIKeyQZGUQZAKHGJMTA-MTDXEUNCSA-N
MW545.60 g/mol
LogP2.37
Rot. Bonds8

About 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol

2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol (PubChem CID 121421057) has the molecular formula C27H31N9O4 and a molecular weight of 545.60 g/mol. Its IUPAC name is 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol
PubChem CID121421057
Molecular FormulaC27H31N9O4
Molecular Weight545.60 g/mol
Exact Mass545.25
IUPAC Name2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCO)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCO)nn2c(C)c(C)ccc12
InChIInChI=1S/C27H31N9O4/c1-14-5-7-20-22(26(39-11-9-37)33-35(20)16(14)3)30-24-18(28)13-19(29)25(32-24)31-23-21-8-6-15(2)17(4)36(21)34-27(23)40-12-10-38/h5-8,13,28,37-38H,9-12,29H2,1-4H3,(H,30,31,32)/b28-18+
InChIKeyQZGUQZAKHGJMTA-MTDXEUNCSA-N
XLogP2.37
TPSA180.14 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.60
LogP ≤ 52.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
The IUPAC name of 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol (CID 121421057) is 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol.
What is the SMILES notation for 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
The canonical SMILES for 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol is [H]/N=C1\C=C(N)/C(=N/c2c(OCCO)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCO)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
The InChIKey is QZGUQZAKHGJMTA-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H31N9O4/c1-14-5-7-20-22(26(39-11-9-37)33-35(20)16(14)3)30-24-18(28)13-19(29)25(32-24)31-23-21-8-6-15(2)17(4)36(21)34-27(23)40-12-10-38/h5-8,13,28,37-38H,9-12,29H2,1-4H3,(H,30,31,32)/b28-18+.
What are the key properties of 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol has a molecular weight of 545.60 g/mol, XLogP of 2.37, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol is sourced from PubChem (CID 121421057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).