2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

C25H25ClN4OS — CID 24758106

IUPAC2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2sc(-c3ccc(Cl)cc3)cc2CCN1c1ccc(N2CC[C@@H](NC3CC3)C2)nc1
InChIInChI=1S/C25H25ClN4OS/c26-18-3-1-16(2-4-18)22-13-17-9-12-30(25(31)24(17)32-22)21-7-8-23(27-14-21)29-11-10-20(15-29)28-19-5-6-19/h1-4,7-8,13-14,19-20,28H,5-6,9-12,15H2/t20-/m1/s1
InChIKeyNMDIZOZRGBKIRU-HXUWFJFHSA-N
MW465.02 g/mol
LogP5.00
Rot. Bonds5

About 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 24758106) has the molecular formula C25H25ClN4OS and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID24758106
Molecular FormulaC25H25ClN4OS
Molecular Weight465.02 g/mol
Exact Mass464.14
IUPAC Name2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESO=C1c2sc(-c3ccc(Cl)cc3)cc2CCN1c1ccc(N2CC[C@@H](NC3CC3)C2)nc1
InChIInChI=1S/C25H25ClN4OS/c26-18-3-1-16(2-4-18)22-13-17-9-12-30(25(31)24(17)32-22)21-7-8-23(27-14-21)29-11-10-20(15-29)28-19-5-6-19/h1-4,7-8,13-14,19-20,28H,5-6,9-12,15H2/t20-/m1/s1
InChIKeyNMDIZOZRGBKIRU-HXUWFJFHSA-N
XLogP5.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 24758106) is 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is O=C1c2sc(-c3ccc(Cl)cc3)cc2CCN1c1ccc(N2CC[C@@H](NC3CC3)C2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is NMDIZOZRGBKIRU-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25ClN4OS/c26-18-3-1-16(2-4-18)22-13-17-9-12-30(25(31)24(17)32-22)21-7-8-23(27-14-21)29-11-10-20(15-29)28-19-5-6-19/h1-4,7-8,13-14,19-20,28H,5-6,9-12,15H2/t20-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 465.02 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 24758106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).