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N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C22H22N6O3 — CID 118226651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(O)C3)co2)ccn1
InChIInChI=1S/C22H22N6O3/c1-13-7-14(3-5-23-13)22-26-18(12-31-22)21(30)25-17-8-15-10-24-27(2)19(15)9-20(17)28-6-4-16(29)11-28/h3,5,7-10,12,16,29H,4,6,11H2,1-2H3,(H,25,30)
InChIKeyMFPBGMCCTJGWQS-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.76
Rot. Bonds4

About N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118226651) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID118226651
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(O)C3)co2)ccn1
InChIInChI=1S/C22H22N6O3/c1-13-7-14(3-5-23-13)22-26-18(12-31-22)21(30)25-17-8-15-10-24-27(2)19(15)9-20(17)28-6-4-16(29)11-28/h3,5,7-10,12,16,29H,4,6,11H2,1-2H3,(H,25,30)
InChIKeyMFPBGMCCTJGWQS-UHFFFAOYSA-N
XLogP2.76
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118226651) is N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(O)C3)co2)ccn1.
What is the InChIKey of N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MFPBGMCCTJGWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-13-7-14(3-5-23-13)22-26-18(12-31-22)21(30)25-17-8-15-10-24-27(2)19(15)9-20(17)28-6-4-16(29)11-28/h3,5,7-10,12,16,29H,4,6,11H2,1-2H3,(H,25,30).
What are the key properties of N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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