3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

C29H35N9O4 — CID 121418972

IUPAC3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCOC(C)C)nn3ccccc23)N=C1Nc1c(OCCOC(C)C)nn2ccccc12
InChIInChI=1S/C29H35N9O4/c1-18(2)39-13-15-41-28-24(22-9-5-7-11-37(22)35-28)32-26-20(30)17-21(31)27(34-26)33-25-23-10-6-8-12-38(23)36-29(25)42-16-14-40-19(3)4/h5-12,17-19,30H,13-16,31H2,1-4H3,(H,32,33,34)/b30-20+
InChIKeyXQSDOLMUGGGBGY-TWKHWXDSSA-N
MW573.66 g/mol
LogP4.01
Rot. Bonds12

About 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (PubChem CID 121418972) has the molecular formula C29H35N9O4 and a molecular weight of 573.66 g/mol. Its IUPAC name is 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.

Molecular Properties

Compound Name3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
PubChem CID121418972
Molecular FormulaC29H35N9O4
Molecular Weight573.66 g/mol
Exact Mass573.28
IUPAC Name3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCOC(C)C)nn3ccccc23)N=C1Nc1c(OCCOC(C)C)nn2ccccc12
InChIInChI=1S/C29H35N9O4/c1-18(2)39-13-15-41-28-24(22-9-5-7-11-37(22)35-28)32-26-20(30)17-21(31)27(34-26)33-25-23-10-6-8-12-38(23)36-29(25)42-16-14-40-19(3)4/h5-12,17-19,30H,13-16,31H2,1-4H3,(H,32,33,34)/b30-20+
InChIKeyXQSDOLMUGGGBGY-TWKHWXDSSA-N
XLogP4.01
TPSA158.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.66
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
The IUPAC name of 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (CID 121418972) is 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.
What is the SMILES notation for 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
The canonical SMILES for 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCOC(C)C)nn3ccccc23)N=C1Nc1c(OCCOC(C)C)nn2ccccc12.
What is the InChIKey of 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
The InChIKey is XQSDOLMUGGGBGY-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H35N9O4/c1-18(2)39-13-15-41-28-24(22-9-5-7-11-37(22)35-28)32-26-20(30)17-21(31)27(34-26)33-25-23-10-6-8-12-38(23)36-29(25)42-16-14-40-19(3)4/h5-12,17-19,30H,13-16,31H2,1-4H3,(H,32,33,34)/b30-20+.
What are the key properties of 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine has a molecular weight of 573.66 g/mol, XLogP of 4.01, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-N-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-propan-2-yloxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is sourced from PubChem (CID 121418972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).