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

C35H45N11O2 — CID 121421125

IUPAC2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN2CCCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C35H45N11O2/c1-22-9-11-28-30(34(41-45(28)24(22)3)47-19-17-43-13-5-6-14-43)38-32-26(36)21-27(37)33(40-32)39-31-29-12-10-23(2)25(4)46(29)42-35(31)48-20-18-44-15-7-8-16-44/h9-12,21,36H,5-8,13-20,37H2,1-4H3,(H,38,39,40)/b36-26+
InChIKeyFPNKQWRPRQEIFI-LZBRRTOVSA-N
MW651.82 g/mol
LogP4.58
Rot. Bonds10

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

2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121421125) has the molecular formula C35H45N11O2 and a molecular weight of 651.82 g/mol. Its IUPAC name is 2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121421125
Molecular FormulaC35H45N11O2
Molecular Weight651.82 g/mol
Exact Mass651.38
IUPAC Name2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN2CCCC2)nn2c(C)c(C)ccc12
InChIInChI=1S/C35H45N11O2/c1-22-9-11-28-30(34(41-45(28)24(22)3)47-19-17-43-13-5-6-14-43)38-32-26(36)21-27(37)33(40-32)39-31-29-12-10-23(2)25(4)46(29)42-35(31)48-20-18-44-15-7-8-16-44/h9-12,21,36H,5-8,13-20,37H2,1-4H3,(H,38,39,40)/b36-26+
InChIKeyFPNKQWRPRQEIFI-LZBRRTOVSA-N
XLogP4.58
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.82
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[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-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121421125) is 2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-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-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCN2CCCC2)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is FPNKQWRPRQEIFI-LZBRRTOVSA-N. The full InChI is InChI=1S/C35H45N11O2/c1-22-9-11-28-30(34(41-45(28)24(22)3)47-19-17-43-13-5-6-14-43)38-32-26(36)21-27(37)33(40-32)39-31-29-12-10-23(2)25(4)46(29)42-35(31)48-20-18-44-15-7-8-16-44/h9-12,21,36H,5-8,13-20,37H2,1-4H3,(H,38,39,40)/b36-26+.
What are the key properties of 2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 651.82 g/mol, XLogP of 4.58, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121421125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).