5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

C22H20F2N6O3 — CID 171767453

IUPAC5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESO=c1ccc(OC(F)F)cn1-c1ccc(N[C@H]2CC[C@H](Nc3nc4cccnc4o3)C2)nc1
InChIInChI=1S/C22H20F2N6O3/c23-21(24)32-16-6-8-19(31)30(12-16)15-5-7-18(26-11-15)27-13-3-4-14(10-13)28-22-29-17-2-1-9-25-20(17)33-22/h1-2,5-9,11-14,21H,3-4,10H2,(H,26,27)(H,28,29)/t13-,14-/m0/s1
InChIKeyBNVYYBZPWBJZCU-KBPBESRZSA-N
MW454.44 g/mol
LogP3.82
Rot. Bonds7

About 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 171767453) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID171767453
Molecular FormulaC22H20F2N6O3
Molecular Weight454.44 g/mol
Exact Mass454.16
IUPAC Name5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
SMILESO=c1ccc(OC(F)F)cn1-c1ccc(N[C@H]2CC[C@H](Nc3nc4cccnc4o3)C2)nc1
InChIInChI=1S/C22H20F2N6O3/c23-21(24)32-16-6-8-19(31)30(12-16)15-5-7-18(26-11-15)27-13-3-4-14(10-13)28-22-29-17-2-1-9-25-20(17)33-22/h1-2,5-9,11-14,21H,3-4,10H2,(H,26,27)(H,28,29)/t13-,14-/m0/s1
InChIKeyBNVYYBZPWBJZCU-KBPBESRZSA-N
XLogP3.82
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (CID 171767453) is 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is O=c1ccc(OC(F)F)cn1-c1ccc(N[C@H]2CC[C@H](Nc3nc4cccnc4o3)C2)nc1.
What is the InChIKey of 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is BNVYYBZPWBJZCU-KBPBESRZSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c23-21(24)32-16-6-8-19(31)30(12-16)15-5-7-18(26-11-15)27-13-3-4-14(10-13)28-22-29-17-2-1-9-25-20(17)33-22/h1-2,5-9,11-14,21H,3-4,10H2,(H,26,27)(H,28,29)/t13-,14-/m0/s1.
What are the key properties of 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?
5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 454.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-[6-[[(1S,3S)-3-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 171767453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).