N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O3 — CID 94816250

IUPACN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c12
InChIInChI=1S/C22H21N5O3/c1-12-19-15(22(30)27(14-8-9-14)17-11-18(28)24-21(17)29)10-16(13-6-4-3-5-7-13)23-20(19)26(2)25-12/h3-7,10,14,17H,8-9,11H2,1-2H3,(H,24,28,29)/t17-/m0/s1
InChIKeyOBKOZUZDAUDISH-KRWDZBQOSA-N
MW403.44 g/mol
LogP1.96
Rot. Bonds4

About N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 94816250) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID94816250
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c12
InChIInChI=1S/C22H21N5O3/c1-12-19-15(22(30)27(14-8-9-14)17-11-18(28)24-21(17)29)10-16(13-6-4-3-5-7-13)23-20(19)26(2)25-12/h3-7,10,14,17H,8-9,11H2,1-2H3,(H,24,28,29)/t17-/m0/s1
InChIKeyOBKOZUZDAUDISH-KRWDZBQOSA-N
XLogP1.96
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 94816250) is N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c12.
What is the InChIKey of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OBKOZUZDAUDISH-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-12-19-15(22(30)27(14-8-9-14)17-11-18(28)24-21(17)29)10-16(13-6-4-3-5-7-13)23-20(19)26(2)25-12/h3-7,10,14,17H,8-9,11H2,1-2H3,(H,24,28,29)/t17-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 94816250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).