[5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

C22H24FN5O3 — CID 155192414

IUPAC[5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc2oc(N3CCN(C(=O)c4cnc(OCC5(C)CC5)c(F)c4)CC3)nc2n1
InChIInChI=1S/C22H24FN5O3/c1-14-3-4-17-18(25-14)26-21(31-17)28-9-7-27(8-10-28)20(29)15-11-16(23)19(24-12-15)30-13-22(2)5-6-22/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyYSWOCZNXJLZXSI-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.21
Rot. Bonds5

About [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

[5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 155192414) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID155192414
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name[5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc2oc(N3CCN(C(=O)c4cnc(OCC5(C)CC5)c(F)c4)CC3)nc2n1
InChIInChI=1S/C22H24FN5O3/c1-14-3-4-17-18(25-14)26-21(31-17)28-9-7-27(8-10-28)20(29)15-11-16(23)19(24-12-15)30-13-22(2)5-6-22/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyYSWOCZNXJLZXSI-UHFFFAOYSA-N
XLogP3.21
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 155192414) is [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is Cc1ccc2oc(N3CCN(C(=O)c4cnc(OCC5(C)CC5)c(F)c4)CC3)nc2n1.
What is the InChIKey of [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is YSWOCZNXJLZXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14-3-4-17-18(25-14)26-21(31-17)28-9-7-27(8-10-28)20(29)15-11-16(23)19(24-12-15)30-13-22(2)5-6-22/h3-4,11-12H,5-10,13H2,1-2H3.
What are the key properties of [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
[5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 425.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 155192414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).