2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

C35H45N11O4 — CID 121421083

IUPAC2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCOCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN2CCOCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C35H45N11O4/c1-22-5-7-28-30(34(41-45(28)24(22)3)49-19-13-43-9-15-47-16-10-43)38-32-26(36)21-27(37)33(40-32)39-31-29-8-6-23(2)25(4)46(29)42-35(31)50-20-14-44-11-17-48-18-12-44/h5-8,21,36H,9-20,37H2,1-4H3,(H,38,39,40)/b36-26+
InChIKeyKQTDJFGERHDZCN-LZBRRTOVSA-N
MW683.82 g/mol
LogP3.05
Rot. Bonds10

About 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121421083) has the molecular formula C35H45N11O4 and a molecular weight of 683.82 g/mol. Its IUPAC name is 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121421083
Molecular FormulaC35H45N11O4
Molecular Weight683.82 g/mol
Exact Mass683.37
IUPAC Name2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCOCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN2CCOCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C35H45N11O4/c1-22-5-7-28-30(34(41-45(28)24(22)3)49-19-13-43-9-15-47-16-10-43)38-32-26(36)21-27(37)33(40-32)39-31-29-8-6-23(2)25(4)46(29)42-35(31)50-20-14-44-11-17-48-18-12-44/h5-8,21,36H,9-20,37H2,1-4H3,(H,38,39,40)/b36-26+
InChIKeyKQTDJFGERHDZCN-LZBRRTOVSA-N
XLogP3.05
TPSA164.62 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.82
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine with MolForge

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Related Compounds

[1-[2-(3-Amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl]pyrrolidin-3-yl]-trimethylazanium
CID 57507705
6,7-Dimethyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57507706
6,7-Dimethyl-2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57806217
2-(3-Amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium
CID 57806232
2-(3-Amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)oxyethyl-methyl-di(propan-2-yl)azanium
CID 57806236
6,7-Dimethyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57806250
2-[2-(Dimethylamino)ethoxy]-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine
CID 57981207
11-(2-Piperidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine
CID 57981216
2-[2-[3-(Dimethylamino)pyrrolidin-1-yl]ethoxy]-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine
CID 57981221
2-[2-[3-(Dimethylamino)pyrrolidin-1-yl]ethoxy]-4-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-amine
CID 57981282
11-(2-Pyrrolidin-1-ylethoxy)-1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-10-amine
CID 57981285
N-(cyclopropylmethyl)-7-[6-(dimethylamino)-2,4-dimethyl-3-pyridinyl]-2-methoxy-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 67220103

Frequently Asked Questions

What is the IUPAC name of 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The IUPAC name of 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121421083) is 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.
What is the SMILES notation for 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The canonical SMILES for 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCOCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN2CCOCC2)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is KQTDJFGERHDZCN-LZBRRTOVSA-N. The full InChI is InChI=1S/C35H45N11O4/c1-22-5-7-28-30(34(41-45(28)24(22)3)49-19-13-43-9-15-47-16-10-43)38-32-26(36)21-27(37)33(40-32)39-31-29-8-6-23(2)25(4)46(29)42-35(31)50-20-14-44-11-17-48-18-12-44/h5-8,21,36H,9-20,37H2,1-4H3,(H,38,39,40)/b36-26+.
What are the key properties of 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 683.82 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121421083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).