N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C20H25N5O4S — CID 138561805

IUPACN-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C20H25N5O4S/c26-20(15-1-2-15)23-18-13-17(16-3-6-21-19(16)22-18)14-4-7-24(8-5-14)30(27,28)25-9-11-29-12-10-25/h3-4,6,13,15H,1-2,5,7-12H2,(H2,21,22,23,26)
InChIKeyQRZYJXNMQPBIRT-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.58
Rot. Bonds5

About N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138561805) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138561805
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C20H25N5O4S/c26-20(15-1-2-15)23-18-13-17(16-3-6-21-19(16)22-18)14-4-7-24(8-5-14)30(27,28)25-9-11-29-12-10-25/h3-4,6,13,15H,1-2,5,7-12H2,(H2,21,22,23,26)
InChIKeyQRZYJXNMQPBIRT-UHFFFAOYSA-N
XLogP1.58
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-fluoro-4-(morpholin-4-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560994
N-[4-[1-(2-cyanoethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138565855
N-[4-[1-[3-(cyanomethyl)-1-(3-cyanopropylsulfonyl)azetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560924
N-[4-[4-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560864
N-[4-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572669
N-[4-[4-[[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]amino]cyclohexen-1-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561501
N-[4-(8-butanethioyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 158315670
N-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560723
N-[4-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138560689
N-[4-[(3R)-1-(2-cyanoacetyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561019
N-[4-[4-(cyclohexylmethylsulfonylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138565848
N-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138563380

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138561805) is N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc(C2=CCN(S(=O)(=O)N3CCOCC3)CC2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is QRZYJXNMQPBIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c26-20(15-1-2-15)23-18-13-17(16-3-6-21-19(16)22-18)14-4-7-24(8-5-14)30(27,28)25-9-11-29-12-10-25/h3-4,6,13,15H,1-2,5,7-12H2,(H2,21,22,23,26).
What are the key properties of N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 431.52 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-morpholin-4-ylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138561805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).