[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone

C24H35N5O4S — CID 146373110

IUPAC[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)COCC(C)(C)N1C(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1
InChIInChI=1S/C24H35N5O4S/c1-23(2)15-33-16-24(3,4)29(23)22(30)27-13-18(14-27)34(31,32)28-10-7-17(8-11-28)20-12-26-21-19(20)6-5-9-25-21/h5-6,9,12,17-18H,7-8,10-11,13-16H2,1-4H3,(H,25,26)
InChIKeyNDROUZWKROFVIF-UHFFFAOYSA-N
MW489.64 g/mol
LogP2.77
Rot. Bonds3

About [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone

[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone (PubChem CID 146373110) has the molecular formula C24H35N5O4S and a molecular weight of 489.64 g/mol. Its IUPAC name is [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone
PubChem CID146373110
Molecular FormulaC24H35N5O4S
Molecular Weight489.64 g/mol
Exact Mass489.24
IUPAC Name[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)COCC(C)(C)N1C(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1
InChIInChI=1S/C24H35N5O4S/c1-23(2)15-33-16-24(3,4)29(23)22(30)27-13-18(14-27)34(31,32)28-10-7-17(8-11-28)20-12-26-21-19(20)6-5-9-25-21/h5-6,9,12,17-18H,7-8,10-11,13-16H2,1-4H3,(H,25,26)
InChIKeyNDROUZWKROFVIF-UHFFFAOYSA-N
XLogP2.77
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone (CID 146373110) is [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone is CC1(C)COCC(C)(C)N1C(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.
What is the InChIKey of [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone?
The InChIKey is NDROUZWKROFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4S/c1-23(2)15-33-16-24(3,4)29(23)22(30)27-13-18(14-27)34(31,32)28-10-7-17(8-11-28)20-12-26-21-19(20)6-5-9-25-21/h5-6,9,12,17-18H,7-8,10-11,13-16H2,1-4H3,(H,25,26).
What are the key properties of [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone?
[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone has a molecular weight of 489.64 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 146373110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).