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

C31H39N9O2 — CID 121421074

IUPAC2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OC(C)(C)C)nn3c(C)c(C)ccc23)N=C1Nc1c(OC(C)(C)C)nn2c(C)c(C)ccc12
InChIInChI=1S/C31H39N9O2/c1-16-11-13-22-24(28(41-30(5,6)7)37-39(22)18(16)3)34-26-20(32)15-21(33)27(36-26)35-25-23-14-12-17(2)19(4)40(23)38-29(25)42-31(8,9)10/h11-15,32H,33H2,1-10H3,(H,34,35,36)/b32-20+
InChIKeyREOIFTJZPPMHCM-UZWMFBFFSA-N
MW569.71 g/mol
LogP5.99
Rot. Bonds4

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

2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121421074) has the molecular formula C31H39N9O2 and a molecular weight of 569.71 g/mol. Its IUPAC name is 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121421074
Molecular FormulaC31H39N9O2
Molecular Weight569.71 g/mol
Exact Mass569.32
IUPAC Name2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OC(C)(C)C)nn3c(C)c(C)ccc23)N=C1Nc1c(OC(C)(C)C)nn2c(C)c(C)ccc12
InChIInChI=1S/C31H39N9O2/c1-16-11-13-22-24(28(41-30(5,6)7)37-39(22)18(16)3)34-26-20(32)15-21(33)27(36-26)35-25-23-14-12-17(2)19(4)40(23)38-29(25)42-31(8,9)10/h11-15,32H,33H2,1-10H3,(H,34,35,36)/b32-20+
InChIKeyREOIFTJZPPMHCM-UZWMFBFFSA-N
XLogP5.99
TPSA139.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]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-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The IUPAC name of 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121421074) is 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]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-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The canonical SMILES for 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OC(C)(C)C)nn3c(C)c(C)ccc23)N=C1Nc1c(OC(C)(C)C)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is REOIFTJZPPMHCM-UZWMFBFFSA-N. The full InChI is InChI=1S/C31H39N9O2/c1-16-11-13-22-24(28(41-30(5,6)7)37-39(22)18(16)3)34-26-20(32)15-21(33)27(36-26)35-25-23-14-12-17(2)19(4)40(23)38-29(25)42-31(8,9)10/h11-15,32H,33H2,1-10H3,(H,34,35,36)/b32-20+.
What are the key properties of 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 569.71 g/mol, XLogP of 5.99, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[6,7-dimethyl-2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121421074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).