N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H33N5O2 — CID 60539505

IUPACN-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H33N5O2/c1-17(2)23-15-21(22-16-26-30(18(3)4)24(22)28-23)25(31)27-20-7-5-19(6-8-20)9-10-29-11-13-32-14-12-29/h5-8,15-18H,9-14H2,1-4H3,(H,27,31)
InChIKeyQAZUIOLHBMVILQ-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.26
Rot. Bonds7

About N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 60539505) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID60539505
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H33N5O2/c1-17(2)23-15-21(22-16-26-30(18(3)4)24(22)28-23)25(31)27-20-7-5-19(6-8-20)9-10-29-11-13-32-14-12-29/h5-8,15-18H,9-14H2,1-4H3,(H,27,31)
InChIKeyQAZUIOLHBMVILQ-UHFFFAOYSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 60539505) is N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QAZUIOLHBMVILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-17(2)23-15-21(22-16-26-30(18(3)4)24(22)28-23)25(31)27-20-7-5-19(6-8-20)9-10-29-11-13-32-14-12-29/h5-8,15-18H,9-14H2,1-4H3,(H,27,31).
What are the key properties of N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylethyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 60539505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).