N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide

C25H25N5O3 — CID 66829119

IUPACN,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1
InChIInChI=1S/C25H25N5O3/c1-30(2)25(31)18-5-3-4-16(14-18)21-15-17(6-10-26-21)23-22-20(28-29-23)7-11-27-24(22)33-19-8-12-32-13-9-19/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,29)
InChIKeyMQEXLVJBIGJVMW-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.95
Rot. Bonds5

About N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide

N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide (PubChem CID 66829119) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
PubChem CID66829119
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1
InChIInChI=1S/C25H25N5O3/c1-30(2)25(31)18-5-3-4-16(14-18)21-15-17(6-10-26-21)23-22-20(28-29-23)7-11-27-24(22)33-19-8-12-32-13-9-19/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,29)
InChIKeyMQEXLVJBIGJVMW-UHFFFAOYSA-N
XLogP3.95
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide (CID 66829119) is N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide is CN(C)C(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1.
What is the InChIKey of N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is MQEXLVJBIGJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-30(2)25(31)18-5-3-4-16(14-18)21-15-17(6-10-26-21)23-22-20(28-29-23)7-11-27-24(22)33-19-8-12-32-13-9-19/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,29).
What are the key properties of N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 443.51 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 66829119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).