2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

C27H33N11O2 — CID 121421077

IUPAC2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN)nn2c(C)c(C)ccc12
InChIInChI=1S/C27H33N11O2/c1-14-5-7-20-22(26(39-11-9-28)35-37(20)16(14)3)32-24-18(30)13-19(31)25(34-24)33-23-21-8-6-15(2)17(4)38(21)36-27(23)40-12-10-29/h5-8,13,30H,9-12,28-29,31H2,1-4H3,(H,32,33,34)/b30-18+
InChIKeyCQAXUUXBYDCOOM-UXHLAJHPSA-N
MW543.64 g/mol
LogP2.31
Rot. Bonds8

About 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121421077) has the molecular formula C27H33N11O2 and a molecular weight of 543.64 g/mol. Its IUPAC name is 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121421077
Molecular FormulaC27H33N11O2
Molecular Weight543.64 g/mol
Exact Mass543.28
IUPAC Name2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN)nn2c(C)c(C)ccc12
InChIInChI=1S/C27H33N11O2/c1-14-5-7-20-22(26(39-11-9-28)35-37(20)16(14)3)32-24-18(30)13-19(31)25(34-24)33-23-21-8-6-15(2)17(4)38(21)36-27(23)40-12-10-29/h5-8,13,30H,9-12,28-29,31H2,1-4H3,(H,32,33,34)/b30-18+
InChIKeyCQAXUUXBYDCOOM-UXHLAJHPSA-N
XLogP2.31
TPSA191.72 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.64
LogP ≤ 52.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121421077) is 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCN)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is CQAXUUXBYDCOOM-UXHLAJHPSA-N. The full InChI is InChI=1S/C27H33N11O2/c1-14-5-7-20-22(26(39-11-9-28)35-37(20)16(14)3)32-24-18(30)13-19(31)25(34-24)33-23-21-8-6-15(2)17(4)38(21)36-27(23)40-12-10-29/h5-8,13,30H,9-12,28-29,31H2,1-4H3,(H,32,33,34)/b30-18+.
What are the key properties of 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 543.64 g/mol, XLogP of 2.31, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-aminoethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121421077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).