N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide

C23H27N5O4 — CID 164554585

IUPACN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Oc1nc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C23H27N5O4/c1-14(2)32-22-18(21(29)24-19-4-3-8-28(23(19)30)17-5-6-17)10-16-12-27(26-20(16)25-22)11-15-7-9-31-13-15/h3-4,8,10,12,14-15,17H,5-7,9,11,13H2,1-2H3,(H,24,29)/t15-/m1/s1
InChIKeyRCUOVCDXWCCHRO-OAHLLOKOSA-N
MW437.50 g/mol
LogP3.00
Rot. Bonds7

About N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 164554585) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID164554585
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Oc1nc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C23H27N5O4/c1-14(2)32-22-18(21(29)24-19-4-3-8-28(23(19)30)17-5-6-17)10-16-12-27(26-20(16)25-22)11-15-7-9-31-13-15/h3-4,8,10,12,14-15,17H,5-7,9,11,13H2,1-2H3,(H,24,29)/t15-/m1/s1
InChIKeyRCUOVCDXWCCHRO-OAHLLOKOSA-N
XLogP3.00
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide (CID 164554585) is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Oc1nc2nn(C[C@H]3CCOC3)cc2cc1C(=O)Nc1cccn(C2CC2)c1=O.
What is the InChIKey of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RCUOVCDXWCCHRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14(2)32-22-18(21(29)24-19-4-3-8-28(23(19)30)17-5-6-17)10-16-12-27(26-20(16)25-22)11-15-7-9-31-13-15/h3-4,8,10,12,14-15,17H,5-7,9,11,13H2,1-2H3,(H,24,29)/t15-/m1/s1.
What are the key properties of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 164554585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).