6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one

C22H24N6O3 — CID 178169317

IUPAC6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one
SMILESCC(C)c1nc(N[C@H]2CC[C@H](Nc3ccc(-n4ccc5ccoc5c4=O)cn3)C2)no1
InChIInChI=1S/C22H24N6O3/c1-13(2)20-26-22(27-31-20)25-16-4-3-15(11-16)24-18-6-5-17(12-23-18)28-9-7-14-8-10-30-19(14)21(28)29/h5-10,12-13,15-16H,3-4,11H2,1-2H3,(H,23,24)(H,25,27)/t15-,16-/m0/s1
InChIKeyVCRRVXSSSOFQJB-HOTGVXAUSA-N
MW420.47 g/mol
LogP3.93
Rot. Bonds6

About 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one

6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one (PubChem CID 178169317) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one
PubChem CID178169317
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one
SMILESCC(C)c1nc(N[C@H]2CC[C@H](Nc3ccc(-n4ccc5ccoc5c4=O)cn3)C2)no1
InChIInChI=1S/C22H24N6O3/c1-13(2)20-26-22(27-31-20)25-16-4-3-15(11-16)24-18-6-5-17(12-23-18)28-9-7-14-8-10-30-19(14)21(28)29/h5-10,12-13,15-16H,3-4,11H2,1-2H3,(H,23,24)(H,25,27)/t15-,16-/m0/s1
InChIKeyVCRRVXSSSOFQJB-HOTGVXAUSA-N
XLogP3.93
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one (CID 178169317) is 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one is CC(C)c1nc(N[C@H]2CC[C@H](Nc3ccc(-n4ccc5ccoc5c4=O)cn3)C2)no1.
What is the InChIKey of 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one?
The InChIKey is VCRRVXSSSOFQJB-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13(2)20-26-22(27-31-20)25-16-4-3-15(11-16)24-18-6-5-17(12-23-18)28-9-7-14-8-10-30-19(14)21(28)29/h5-10,12-13,15-16H,3-4,11H2,1-2H3,(H,23,24)(H,25,27)/t15-,16-/m0/s1.
What are the key properties of 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one?
6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one has a molecular weight of 420.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[(1S,3S)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]furo[2,3-c]pyridin-7-one is sourced from PubChem (CID 178169317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).